5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid

C12H9N3O2S2 — CID 58127517

IUPAC5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1nc(-c2cccs2)cs1
InChIInChI=1S/C12H9N3O2S2/c1-7-8(11(16)17)5-13-15(7)12-14-9(6-19-12)10-3-2-4-18-10/h2-6H,1H3,(H,16,17)
InChIKeyADHBEBRBGLUPMR-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.06
Rot. Bonds3

About 5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid

5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid (PubChem CID 58127517) has the molecular formula C12H9N3O2S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
PubChem CID58127517
Molecular FormulaC12H9N3O2S2
Molecular Weight291.36 g/mol
Exact Mass291.01
IUPAC Name5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1nc(-c2cccs2)cs1
InChIInChI=1S/C12H9N3O2S2/c1-7-8(11(16)17)5-13-15(7)12-14-9(6-19-12)10-3-2-4-18-10/h2-6H,1H3,(H,16,17)
InChIKeyADHBEBRBGLUPMR-UHFFFAOYSA-N
XLogP3.06
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid (CID 58127517) is 5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1-c1nc(-c2cccs2)cs1.
What is the InChIKey of 5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is ADHBEBRBGLUPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S2/c1-7-8(11(16)17)5-13-15(7)12-14-9(6-19-12)10-3-2-4-18-10/h2-6H,1H3,(H,16,17).
What are the key properties of 5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 291.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 58127517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).