2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

C14H14N6O3S — CID 19485698

IUPAC2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCc1c(-c2csc(NC(=O)Cn3nccc3C(=O)O)n2)cnn1C
InChIInChI=1S/C14H14N6O3S/c1-8-9(5-16-19(8)2)10-7-24-14(17-10)18-12(21)6-20-11(13(22)23)3-4-15-20/h3-5,7H,6H2,1-2H3,(H,22,23)(H,17,18,21)
InChIKeyRZHAEDCCJRYRKK-UHFFFAOYSA-N
MW346.37 g/mol
LogP1.39
Rot. Bonds5

About 2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485698) has the molecular formula C14H14N6O3S and a molecular weight of 346.37 g/mol. Its IUPAC name is 2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485698
Molecular FormulaC14H14N6O3S
Molecular Weight346.37 g/mol
Exact Mass346.08
IUPAC Name2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCc1c(-c2csc(NC(=O)Cn3nccc3C(=O)O)n2)cnn1C
InChIInChI=1S/C14H14N6O3S/c1-8-9(5-16-19(8)2)10-7-24-14(17-10)18-12(21)6-20-11(13(22)23)3-4-15-20/h3-5,7H,6H2,1-2H3,(H,22,23)(H,17,18,21)
InChIKeyRZHAEDCCJRYRKK-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-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482663
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
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide
CID 46969511
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-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 46971588
2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485630
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide
CID 46978343
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
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
2-[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482808
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 55811361
2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 167813319

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485698) is 2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is Cc1c(-c2csc(NC(=O)Cn3nccc3C(=O)O)n2)cnn1C.
What is the InChIKey of 2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is RZHAEDCCJRYRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3S/c1-8-9(5-16-19(8)2)10-7-24-14(17-10)18-12(21)6-20-11(13(22)23)3-4-15-20/h3-5,7H,6H2,1-2H3,(H,22,23)(H,17,18,21).
What are the key properties of 2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic 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-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).