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

C18H13N3O2S2 — CID 59179256

IUPAC2-(4-methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccsc1
InChIInChI=1S/C18H13N3O2S2/c1-11-15(12-5-3-2-4-6-12)20-21(16(11)13-7-8-24-9-13)18-19-14(10-25-18)17(22)23/h2-10H,1H3,(H,22,23)
InChIKeyIOSRFPHZQDPBMH-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.73
Rot. Bonds4

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

2-(4-methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179256) 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-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179256
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC Name2-(4-methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccsc1
InChIInChI=1S/C18H13N3O2S2/c1-11-15(12-5-3-2-4-6-12)20-21(16(11)13-7-8-24-9-13)18-19-14(10-25-18)17(22)23/h2-10H,1H3,(H,22,23)
InChIKeyIOSRFPHZQDPBMH-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179256) is 2-(4-methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccsc1.
What is the InChIKey of 2-(4-methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is IOSRFPHZQDPBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c1-11-15(12-5-3-2-4-6-12)20-21(16(11)13-7-8-24-9-13)18-19-14(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-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(4-methyl-3-phenyl-5-thiophen-3-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-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).