2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C10H10N4O3S — CID 116696706

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H10N4O3S/c1-4-7(5(2)14-13-4)12-8(15)9-11-6(3-18-9)10(16)17/h3H,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyFFRBJVLDBKUKTG-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.43
Rot. Bonds3

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696706) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696706
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H10N4O3S/c1-4-7(5(2)14-13-4)12-8(15)9-11-6(3-18-9)10(16)17/h3H,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyFFRBJVLDBKUKTG-UHFFFAOYSA-N
XLogP1.43
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696706) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid is Cc1n[nH]c(C)c1NC(=O)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FFRBJVLDBKUKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-4-7(5(2)14-13-4)12-8(15)9-11-6(3-18-9)10(16)17/h3H,1-2H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).