2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid

C14H14N6O3S — CID 19482663

IUPAC2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1c(-c2csc(NC(=O)c3ccnn3CC(=O)O)n2)cnn1C
InChIInChI=1S/C14H14N6O3S/c1-8-9(5-16-19(8)2)10-7-24-14(17-10)18-13(23)11-3-4-15-20(11)6-12(21)22/h3-5,7H,6H2,1-2H3,(H,21,22)(H,17,18,23)
InChIKeyVCSHIRUOYAOWDK-UHFFFAOYSA-N
MW346.37 g/mol
LogP1.39
Rot. Bonds5

About 2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid

2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19482663) has the molecular formula C14H14N6O3S and a molecular weight of 346.37 g/mol. Its IUPAC name is 2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19482663
Molecular FormulaC14H14N6O3S
Molecular Weight346.37 g/mol
Exact Mass346.08
IUPAC Name2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1c(-c2csc(NC(=O)c3ccnn3CC(=O)O)n2)cnn1C
InChIInChI=1S/C14H14N6O3S/c1-8-9(5-16-19(8)2)10-7-24-14(17-10)18-13(23)11-3-4-15-20(11)6-12(21)22/h3-5,7H,6H2,1-2H3,(H,21,22)(H,17,18,23)
InChIKeyVCSHIRUOYAOWDK-UHFFFAOYSA-N
XLogP1.39
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485698
2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19482723
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 46971588
4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444132
1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506329
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide
CID 46978343
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide
CID 46978766
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19469862
4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19469810
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110479
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide
CID 46969511
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092784

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid (CID 19482663) is 2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid is Cc1c(-c2csc(NC(=O)c3ccnn3CC(=O)O)n2)cnn1C.
What is the InChIKey of 2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is VCSHIRUOYAOWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3S/c1-8-9(5-16-19(8)2)10-7-24-14(17-10)18-13(23)11-3-4-15-20(11)6-12(21)22/h3-5,7H,6H2,1-2H3,(H,21,22)(H,17,18,23).
What are the key properties of 2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid?
2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 346.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).