5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid

C15H12N4O3S — CID 71517091

IUPAC5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C15H12N4O3S/c1-8-12(10-7-11(14(21)22)19-18-10)23-15(16-8)17-13(20)9-5-3-2-4-6-9/h2-7H,1H3,(H,18,19)(H,21,22)(H,16,17,20)
InChIKeyOYOCYCDDKHDVMM-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.79
Rot. Bonds4

About 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid

5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid (PubChem CID 71517091) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid
PubChem CID71517091
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C15H12N4O3S/c1-8-12(10-7-11(14(21)22)19-18-10)23-15(16-8)17-13(20)9-5-3-2-4-6-9/h2-7H,1H3,(H,18,19)(H,21,22)(H,16,17,20)
InChIKeyOYOCYCDDKHDVMM-UHFFFAOYSA-N
XLogP2.79
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid (CID 71517091) is 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid is Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)O)n[nH]1.
What is the InChIKey of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is OYOCYCDDKHDVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c1-8-12(10-7-11(14(21)22)19-18-10)23-15(16-8)17-13(20)9-5-3-2-4-6-9/h2-7H,1H3,(H,18,19)(H,21,22)(H,16,17,20).
What are the key properties of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid?
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 328.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 71517091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).