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Basic Information
CAS No.: 52499-04-4
Name: 5-Thiazolecarboxamide,2-amino-(9CI)
Molecular Structure:
Molecular Structure of 52499-04-4 (5-Thiazolecarboxamide,2-amino-(9CI))
Formula: C4H5N3OS
Molecular Weight: 143.169
Synonyms: 2-Aminothiazole-5-carboxylic acid amide;
PSA: 111.96000
LogP: 0.63850
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Specification

The CAS registry number of 5-Thiazolecarboxamide,2-amino-(9CI) is 52499-04-4. This chemical is also known as 2-Aminothiazole-5-carboxylic acid amide. The molecular formula of it is C4H5N3OS and molecular weight is 143.167. Its IUPAC name is called 2-amino-1,3-thiazole-5-carboxamid.

Properties Computed from Structure about this chemical are: (1)XLogP3-AA: -0.2; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 1; (5)Tautomer Count: 7; (6)Exact: Mass: 143.015332; (7)MonoIsotopic Mass: 143.015332; (8)Topological Polar Surface Area: 110; (9)Heavy Atom Count: 9; (10)Formal Charge: 0; (11)Complexity: 129; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(SC(=N1)N)C(=O)N
(2)InChI: InChI=1S/C4H5N3OS/c5-3(8)2-1-7-4(6)9-2/h1H,(H2,5,8)(H2,6,7)
(3)InChIKey: NQXGKSIKPATTNC-UHFFFAOYSA-N