1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid

C20H15N5O3S — CID 75383767

IUPAC1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(-n2ccc(C(=O)O)n2)cc1
InChIInChI=1S/C20H15N5O3S/c26-18(10-15-12-29-19(23-15)13-2-1-8-21-11-13)22-14-3-5-16(6-4-14)25-9-7-17(24-25)20(27)28/h1-9,11-12H,10H2,(H,22,26)(H,27,28)
InChIKeyXZBVNWDCHGZVOW-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.27
Rot. Bonds6

About 1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid

1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid (PubChem CID 75383767) has the molecular formula C20H15N5O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is 1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid
PubChem CID75383767
Molecular FormulaC20H15N5O3S
Molecular Weight405.44 g/mol
Exact Mass405.09
IUPAC Name1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(-n2ccc(C(=O)O)n2)cc1
InChIInChI=1S/C20H15N5O3S/c26-18(10-15-12-29-19(23-15)13-2-1-8-21-11-13)22-14-3-5-16(6-4-14)25-9-7-17(24-25)20(27)28/h1-9,11-12H,10H2,(H,22,26)(H,27,28)
InChIKeyXZBVNWDCHGZVOW-UHFFFAOYSA-N
XLogP3.27
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic 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

N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55868596
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55798536
N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026182
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N-(2-iodophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386459
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 60517302
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 41119508
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid (CID 75383767) is 1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid is O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(-n2ccc(C(=O)O)n2)cc1.
What is the InChIKey of 1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is XZBVNWDCHGZVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S/c26-18(10-15-12-29-19(23-15)13-2-1-8-21-11-13)22-14-3-5-16(6-4-14)25-9-7-17(24-25)20(27)28/h1-9,11-12H,10H2,(H,22,26)(H,27,28).
What are the key properties of 1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid?
1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 405.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 75383767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).