5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

C11H12N4O3S — CID 19494353

IUPAC5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1nc(NC(=O)c2c(C(=O)O)cnn2C)sc1C
InChIInChI=1S/C11H12N4O3S/c1-5-6(2)19-11(13-5)14-9(16)8-7(10(17)18)4-12-15(8)3/h4H,1-3H3,(H,17,18)(H,13,14,16)
InChIKeyBRUGTWIOZCXDCO-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.44
Rot. Bonds3

About 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19494353) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19494353
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCc1nc(NC(=O)c2c(C(=O)O)cnn2C)sc1C
InChIInChI=1S/C11H12N4O3S/c1-5-6(2)19-11(13-5)14-9(16)8-7(10(17)18)4-12-15(8)3/h4H,1-3H3,(H,17,18)(H,13,14,16)
InChIKeyBRUGTWIOZCXDCO-UHFFFAOYSA-N
XLogP1.44
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19494353) is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is Cc1nc(NC(=O)c2c(C(=O)O)cnn2C)sc1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is BRUGTWIOZCXDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-5-6(2)19-11(13-5)14-9(16)8-7(10(17)18)4-12-15(8)3/h4H,1-3H3,(H,17,18)(H,13,14,16).
What are the key properties of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19494353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).