2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

C18H13N3O2S2 — CID 59179283

IUPAC2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccs1
InChIInChI=1S/C18H13N3O2S2/c1-11-15(12-6-3-2-4-7-12)20-21(16(11)14-8-5-9-24-14)18-19-13(10-25-18)17(22)23/h2-10H,1H3,(H,22,23)
InChIKeyJBCVIWSBWQLWAJ-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.73
Rot. Bonds4

About 2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179283) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179283
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC Name2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccs1
InChIInChI=1S/C18H13N3O2S2/c1-11-15(12-6-3-2-4-7-12)20-21(16(11)14-8-5-9-24-14)18-19-13(10-25-18)17(22)23/h2-10H,1H3,(H,22,23)
InChIKeyJBCVIWSBWQLWAJ-UHFFFAOYSA-N
XLogP4.73
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ldh-IN-1
CID 131955127
Ncats-SM1441
CID 139465347
2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179305
2-(6-Trifluoromethyl-3-phenyl-1H-indazole-1-yl)-4-thiazolecarboxylic acid
CID 59179887
2-[3-Phenyl-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179917
2-(6-Methyl-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 68258993
2-[5-Cyclopropyl-3-(3-phenylphenyl)-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 121461710
2-[5-(Cyclopropylmethyl)-3-[4-fluoro-3-[2-(5-methylthiophen-2-yl)ethynyl]phenyl]-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 139465358
2-(3-Phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-4-carboxylic acid
CID 1498318
2-[3-(3-Fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611364
2-(4-Hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611631
2-(4-Chloro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611633

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179283) is 2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccs1.
What is the InChIKey of 2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is JBCVIWSBWQLWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c1-11-15(12-6-3-2-4-7-12)20-21(16(11)14-8-5-9-24-14)18-19-13(10-25-18)17(22)23/h2-10H,1H3,(H,22,23).
What are the key properties of 2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 367.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-phenyl-5-thiophen-2-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).