2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide

C21H18N6O3S2 — CID 177207630

IUPAC2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccnn1-c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H18N6O3S2/c28-20(25-21-24-18(13-31-21)17-3-1-2-11-22-17)19-10-12-23-27(19)15-6-8-16(9-7-15)32(29,30)26-14-4-5-14/h1-3,6-14,26H,4-5H2,(H,24,25,28)
InChIKeyYOUHAJHXECVFTO-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.08
Rot. Bonds7

About 2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide

2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 177207630) has the molecular formula C21H18N6O3S2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID177207630
Molecular FormulaC21H18N6O3S2
Molecular Weight466.55 g/mol
Exact Mass466.09
IUPAC Name2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccnn1-c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H18N6O3S2/c28-20(25-21-24-18(13-31-21)17-3-1-2-11-22-17)19-10-12-23-27(19)15-6-8-16(9-7-15)32(29,30)26-14-4-5-14/h1-3,6-14,26H,4-5H2,(H,24,25,28)
InChIKeyYOUHAJHXECVFTO-UHFFFAOYSA-N
XLogP3.08
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 177207565
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5078395
4-(cyclopropylsulfamoyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41189388
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16550695
N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 108783481
2-[[4-[4-(cyclopropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 140519327
1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 55339409
2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 8891885
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 86929338
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 41163950
1-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16831864

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 177207630) is 2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccnn1-c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is YOUHAJHXECVFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3S2/c28-20(25-21-24-18(13-31-21)17-3-1-2-11-22-17)19-10-12-23-27(19)15-6-8-16(9-7-15)32(29,30)26-14-4-5-14/h1-3,6-14,26H,4-5H2,(H,24,25,28).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 177207630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).