3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide

C18H10F3N3OS — CID 47036921

IUPAC3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)c1
InChIInChI=1S/C18H10F3N3OS/c19-14-5-4-11(15(20)16(14)21)7-13-9-23-18(26-13)24-17(25)12-3-1-2-10(6-12)8-22/h1-6,9H,7H2,(H,23,24,25)
InChIKeyABUZLEJPWGJOAM-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.28
Rot. Bonds4

About 3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide

3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 47036921) has the molecular formula C18H10F3N3OS and a molecular weight of 373.36 g/mol. Its IUPAC name is 3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID47036921
Molecular FormulaC18H10F3N3OS
Molecular Weight373.36 g/mol
Exact Mass373.05
IUPAC Name3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)c1
InChIInChI=1S/C18H10F3N3OS/c19-14-5-4-11(15(20)16(14)21)7-13-9-23-18(26-13)24-17(25)12-3-1-2-10(6-12)8-22/h1-6,9H,7H2,(H,23,24,25)
InChIKeyABUZLEJPWGJOAM-UHFFFAOYSA-N
XLogP4.28
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide 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-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 86920236
N-[5-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47036923
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 86920266
3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 103600288
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 2231211
N-[3-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 78894993
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23939607
3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 110645268
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 1113549
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 24628797
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide
CID 79512579
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 47036921) is 3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)c1.
What is the InChIKey of 3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is ABUZLEJPWGJOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3OS/c19-14-5-4-11(15(20)16(14)21)7-13-9-23-18(26-13)24-17(25)12-3-1-2-10(6-12)8-22/h1-6,9H,7H2,(H,23,24,25).
What are the key properties of 3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 373.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 47036921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).