5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid

C10H7ClN4O3S — CID 107371456

IUPAC5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)c2cnc(Cl)cn2)c1C(=O)O
InChIInChI=1S/C10H7ClN4O3S/c1-4-7(10(17)18)9(19-15-4)14-8(16)5-2-13-6(11)3-12-5/h2-3H,1H3,(H,14,16)(H,17,18)
InChIKeyLUYBTTDCFZCRAD-UHFFFAOYSA-N
MW298.71 g/mol
LogP1.85
Rot. Bonds3

About 5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 107371456) has the molecular formula C10H7ClN4O3S and a molecular weight of 298.71 g/mol. Its IUPAC name is 5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID107371456
Molecular FormulaC10H7ClN4O3S
Molecular Weight298.71 g/mol
Exact Mass297.99
IUPAC Name5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)c2cnc(Cl)cn2)c1C(=O)O
InChIInChI=1S/C10H7ClN4O3S/c1-4-7(10(17)18)9(19-15-4)14-8(16)5-2-13-6(11)3-12-5/h2-3H,1H3,(H,14,16)(H,17,18)
InChIKeyLUYBTTDCFZCRAD-UHFFFAOYSA-N
XLogP1.85
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868632
5-[(3-bromo-4-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107997772
3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid
CID 60871159
3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid
CID 104669483
(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107371470
5-[(3,5-dibromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107971278
3-methyl-5-[(2-methylpyridine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 106752533
5-[(4-bromo-3-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81290340
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869952
5-[(2-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870770
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 107371456) is 5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)c2cnc(Cl)cn2)c1C(=O)O.
What is the InChIKey of 5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is LUYBTTDCFZCRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3S/c1-4-7(10(17)18)9(19-15-4)14-8(16)5-2-13-6(11)3-12-5/h2-3H,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 298.71 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloropyrazine-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 107371456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).