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

C19H14FN3OS — CID 127046793

IUPAC3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2nc(-c3ccccc3F)cs2)c1
InChIInChI=1S/C19H14FN3OS/c20-16-7-2-1-6-15(16)17-12-25-18(23-17)8-9-22-19(24)14-5-3-4-13(10-14)11-21/h1-7,10,12H,8-9H2,(H,22,24)
InChIKeyPZJZXIPIALZEBA-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.79
Rot. Bonds5

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

3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 127046793) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID127046793
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2nc(-c3ccccc3F)cs2)c1
InChIInChI=1S/C19H14FN3OS/c20-16-7-2-1-6-15(16)17-12-25-18(23-17)8-9-22-19(24)14-5-3-4-13(10-14)11-21/h1-7,10,12H,8-9H2,(H,22,24)
InChIKeyPZJZXIPIALZEBA-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
2-chloro-6-fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7522100
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]benzamide
CID 11705688
N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 2986205
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
2-chloro-6-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119113
2,6-difluoro-N-(2-(2-phenylthiazol-4-yl)ethyl)benzamide
CID 16194573
3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 22583819

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 127046793) is 3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is N#Cc1cccc(C(=O)NCCc2nc(-c3ccccc3F)cs2)c1.
What is the InChIKey of 3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is PZJZXIPIALZEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c20-16-7-2-1-6-15(16)17-12-25-18(23-17)8-9-22-19(24)14-5-3-4-13(10-14)11-21/h1-7,10,12H,8-9H2,(H,22,24).
What are the key properties of 3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 127046793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).