2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C9H6N4O3S — CID 116696597

IUPAC2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2ncccn2)n1
InChIInChI=1S/C9H6N4O3S/c14-6(13-9-10-2-1-3-11-9)7-12-5(4-17-7)8(15)16/h1-4H,(H,15,16)(H,10,11,13,14)
InChIKeyVRVIRDDZOMXABB-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.88
Rot. Bonds3

About 2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116696597) has the molecular formula C9H6N4O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116696597
Molecular FormulaC9H6N4O3S
Molecular Weight250.24 g/mol
Exact Mass250.02
IUPAC Name2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2ncccn2)n1
InChIInChI=1S/C9H6N4O3S/c14-6(13-9-10-2-1-3-11-9)7-12-5(4-17-7)8(15)16/h1-4H,(H,15,16)(H,10,11,13,14)
InChIKeyVRVIRDDZOMXABB-UHFFFAOYSA-N
XLogP0.88
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-imidazol-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697134
2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697056
2-(quinolin-3-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697062
2-[(2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696638
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-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697501
2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696510
2-[(1-methylpyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696698
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-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696537

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 116696597) is 2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)Nc2ncccn2)n1.
What is the InChIKey of 2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is VRVIRDDZOMXABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O3S/c14-6(13-9-10-2-1-3-11-9)7-12-5(4-17-7)8(15)16/h1-4H,(H,15,16)(H,10,11,13,14).
What are the key properties of 2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 250.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).