1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide

C23H16N4OS2 — CID 2463063

IUPAC1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H16N4OS2/c28-22(25-23-24-19(15-30-23)21-12-7-13-29-21)20-14-18(16-8-3-1-4-9-16)26-27(20)17-10-5-2-6-11-17/h1-15H,(H,24,25,28)
InChIKeyOUMZAAYRFMPROO-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.98
Rot. Bonds5

About 1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide

1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 2463063) has the molecular formula C23H16N4OS2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
PubChem CID2463063
Molecular FormulaC23H16N4OS2
Molecular Weight428.54 g/mol
Exact Mass428.08
IUPAC Name1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H16N4OS2/c28-22(25-23-24-19(15-30-23)21-12-7-13-29-21)20-14-18(16-8-3-1-4-9-16)26-27(20)17-10-5-2-6-11-17/h1-15H,(H,24,25,28)
InChIKeyOUMZAAYRFMPROO-UHFFFAOYSA-N
XLogP5.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (CID 2463063) is 1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is O=C(Nc1nc(-c2cccs2)cs1)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is OUMZAAYRFMPROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4OS2/c28-22(25-23-24-19(15-30-23)21-12-7-13-29-21)20-14-18(16-8-3-1-4-9-16)26-27(20)17-10-5-2-6-11-17/h1-15H,(H,24,25,28).
What are the key properties of 1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 2463063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).