1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide

C22H15N5OS2 — CID 16550695

IUPAC1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C22H15N5OS2/c28-21(25-22-24-18(14-30-22)16-9-4-5-11-23-16)19-13-17(20-10-6-12-29-20)26-27(19)15-7-2-1-3-8-15/h1-14H,(H,24,25,28)
InChIKeyPPXPOWLVFCRNHI-UHFFFAOYSA-N
MW429.53 g/mol
LogP5.37
Rot. Bonds5

About 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide

1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 16550695) has the molecular formula C22H15N5OS2 and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID16550695
Molecular FormulaC22H15N5OS2
Molecular Weight429.53 g/mol
Exact Mass429.07
IUPAC Name1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C22H15N5OS2/c28-21(25-22-24-18(14-30-22)16-9-4-5-11-23-16)19-13-17(20-10-6-12-29-20)26-27(19)15-7-2-1-3-8-15/h1-14H,(H,24,25,28)
InChIKeyPPXPOWLVFCRNHI-UHFFFAOYSA-N
XLogP5.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid
CID 177207667
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 40551893
2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 177207565
N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 2580293
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
CID 176859269
2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 8891885
dimethyl 5-[(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 16552895
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 7946021
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 86929338
6-oxo-1-phenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide
CID 7711255

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 16550695) is 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is PPXPOWLVFCRNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5OS2/c28-21(25-22-24-18(14-30-22)16-9-4-5-11-23-16)19-13-17(20-10-6-12-29-20)26-27(19)15-7-2-1-3-8-15/h1-14H,(H,24,25,28).
What are the key properties of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide?
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 16550695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).