N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C17H12N4OS2 — CID 46601942

IUPACN-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)c1csc(-c2cccs2)n1
InChIInChI=1S/C17H12N4OS2/c22-16(14-10-24-17(20-14)15-5-2-8-23-15)19-12-4-1-3-11(9-12)13-6-7-18-21-13/h1-10H,(H,18,21)(H,19,22)
InChIKeyGRKCLDOFDGTQOB-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.51
Rot. Bonds4

About N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46601942) has the molecular formula C17H12N4OS2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID46601942
Molecular FormulaC17H12N4OS2
Molecular Weight352.44 g/mol
Exact Mass352.05
IUPAC NameN-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)c1csc(-c2cccs2)n1
InChIInChI=1S/C17H12N4OS2/c22-16(14-10-24-17(20-14)15-5-2-8-23-15)19-12-4-1-3-11(9-12)13-6-7-18-21-13/h1-10H,(H,18,21)(H,19,22)
InChIKeyGRKCLDOFDGTQOB-UHFFFAOYSA-N
XLogP4.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121084039
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38467487
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 43073757
N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9045051
3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523899
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 43032437
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55907163
N-(3-acetamido-4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 33311200
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24513683

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 46601942) is N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(-c2ccn[nH]2)c1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GRKCLDOFDGTQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS2/c22-16(14-10-24-17(20-14)15-5-2-8-23-15)19-12-4-1-3-11(9-12)13-6-7-18-21-13/h1-10H,(H,18,21)(H,19,22).
What are the key properties of N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46601942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).