N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C12H6F3N3OS — CID 65483586

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cscn2)cc1C(F)(F)F
InChIInChI=1S/C12H6F3N3OS/c13-12(14,15)9-3-8(2-1-7(9)4-16)18-11(19)10-5-20-6-17-10/h1-3,5-6H,(H,18,19)
InChIKeyCSJKSOPYKOLHGX-UHFFFAOYSA-N
MW297.26 g/mol
LogP3.29
Rot. Bonds2

About N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 65483586) has the molecular formula C12H6F3N3OS and a molecular weight of 297.26 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID65483586
Molecular FormulaC12H6F3N3OS
Molecular Weight297.26 g/mol
Exact Mass297.02
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cscn2)cc1C(F)(F)F
InChIInChI=1S/C12H6F3N3OS/c13-12(14,15)9-3-8(2-1-7(9)4-16)18-11(19)10-5-20-6-17-10/h1-3,5-6H,(H,18,19)
InChIKeyCSJKSOPYKOLHGX-UHFFFAOYSA-N
XLogP3.29
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-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-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-[4-cyano-3-(trifluoromethyl)phenyl]-4-(prop-2-enoylamino)benzamide
CID 166405613
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 65484763
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 65483573
3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 69121812
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-(3-cyano-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110471770
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbut-2-enamide
CID 169069663
4-(hydroxyamino)-2-(trifluoromethyl)benzonitrile
CID 59235207
N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 63050132

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 65483586) is N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is N#Cc1ccc(NC(=O)c2cscn2)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CSJKSOPYKOLHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3OS/c13-12(14,15)9-3-8(2-1-7(9)4-16)18-11(19)10-5-20-6-17-10/h1-3,5-6H,(H,18,19).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 297.26 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65483586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).