N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

C19H12ClFN4OS — CID 8893204

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H12ClFN4OS/c20-13-3-6-16(25-11-22-10-23-25)15(9-13)24-19(26)18-8-7-17(27-18)12-1-4-14(21)5-2-12/h1-11H,(H,24,26)
InChIKeyGLSPZIVXHYVOFZ-UHFFFAOYSA-N
MW398.85 g/mol
LogP5.04
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 8893204) has the molecular formula C19H12ClFN4OS and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID8893204
Molecular FormulaC19H12ClFN4OS
Molecular Weight398.85 g/mol
Exact Mass398.04
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H12ClFN4OS/c20-13-3-6-16(25-11-22-10-23-25)15(9-13)24-19(26)18-8-7-17(27-18)12-1-4-14(21)5-2-12/h1-11H,(H,24,26)
InChIKeyGLSPZIVXHYVOFZ-UHFFFAOYSA-N
XLogP5.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.85
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 16549209
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-nitrothiophene-2-carboxamide
CID 24687832
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 24983026
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methylthiophene-2-carboxamide
CID 25163770
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 24687012
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,5-difluorobenzamide
CID 8794629
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylsulfonylbenzamide
CID 9106498
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 16258222
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide
CID 16263431
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17393558
2-N-(2-chlorophenyl)-5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 16037225
5-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-N-(2-phenylphenyl)thiophene-2,5-dicarboxamide
CID 58816227

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 8893204) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is GLSPZIVXHYVOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4OS/c20-13-3-6-16(25-11-22-10-23-25)15(9-13)24-19(26)18-8-7-17(27-18)12-1-4-14(21)5-2-12/h1-11H,(H,24,26).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 8893204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).