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

C19H14FN3OS — CID 110645268

IUPAC3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2ncc(Cc3ccc(F)cc3)s2)c1
InChIInChI=1S/C19H14FN3OS/c20-16-6-4-13(5-7-16)9-17-11-22-18(25-17)12-23-19(24)15-3-1-2-14(8-15)10-21/h1-8,11H,9,12H2,(H,23,24)
InChIKeyLTWYSXGUZIPVHP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.67
Rot. Bonds5

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

3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 110645268) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID110645268
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2ncc(Cc3ccc(F)cc3)s2)c1
InChIInChI=1S/C19H14FN3OS/c20-16-6-4-13(5-7-16)9-17-11-22-18(25-17)12-23-19(24)15-3-1-2-14(8-15)10-21/h1-8,11H,9,12H2,(H,23,24)
InChIKeyLTWYSXGUZIPVHP-UHFFFAOYSA-N
XLogP3.67
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 110645265
2-[[(3-cyanobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380263
5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233652
N-[(4-aminophenyl)methyl]-3-cyanobenzamide
CID 60893168
3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110717665
2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 110421182
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 86920236
3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19411687
3-cyano-N-[5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 47036921
3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103306
3-cyano-N-(pyridazin-3-ylmethyl)benzamide
CID 106832275
3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665732

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide (CID 110645268) is 3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide is N#Cc1cccc(C(=O)NCc2ncc(Cc3ccc(F)cc3)s2)c1.
What is the InChIKey of 3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is LTWYSXGUZIPVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c20-16-6-4-13(5-7-16)9-17-11-22-18(25-17)12-23-19(24)15-3-1-2-14(8-15)10-21/h1-8,11H,9,12H2,(H,23,24).
What are the key properties of 3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110645268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).