2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C9H7N3O4S — CID 116697501

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1coc(NC(=O)c2nc(C(=O)O)cs2)n1
InChIInChI=1S/C9H7N3O4S/c1-4-2-16-9(10-4)12-6(13)7-11-5(3-17-7)8(14)15/h2-3H,1H3,(H,14,15)(H,10,12,13)
InChIKeyARMIZKPOVKIZQV-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.39
Rot. Bonds3

About 2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116697501) has the molecular formula C9H7N3O4S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116697501
Molecular FormulaC9H7N3O4S
Molecular Weight253.24 g/mol
Exact Mass253.02
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1coc(NC(=O)c2nc(C(=O)O)cs2)n1
InChIInChI=1S/C9H7N3O4S/c1-4-2-16-9(10-4)12-6(13)7-11-5(3-17-7)8(14)15/h2-3H,1H3,(H,14,15)(H,10,12,13)
InChIKeyARMIZKPOVKIZQV-UHFFFAOYSA-N
XLogP1.39
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698293
2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696977
2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696597
2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696706
2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696476
2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696469
2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696532
2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696510
2-[(2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696638
2-[(1-methylpyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696698
2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697134
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696608

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116697501) is 2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid is Cc1coc(NC(=O)c2nc(C(=O)O)cs2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ARMIZKPOVKIZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4S/c1-4-2-16-9(10-4)12-6(13)7-11-5(3-17-7)8(14)15/h2-3H,1H3,(H,14,15)(H,10,12,13).
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 253.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).