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

C19H14FN3OS — CID 127048155

IUPAC3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2nc(-c3cccc(F)c3)cs2)c1
InChIInChI=1S/C19H14FN3OS/c20-16-6-2-4-14(10-16)17-12-25-18(23-17)7-8-22-19(24)15-5-1-3-13(9-15)11-21/h1-6,9-10,12H,7-8H2,(H,22,24)
InChIKeyGFRKPGMSMDPHJW-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.79
Rot. Bonds5

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

3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 127048155) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID127048155
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2nc(-c3cccc(F)c3)cs2)c1
InChIInChI=1S/C19H14FN3OS/c20-16-6-2-4-14(10-16)17-12-25-18(23-17)7-8-22-19(24)15-5-1-3-13(9-15)11-21/h1-6,9-10,12H,7-8H2,(H,22,24)
InChIKeyGFRKPGMSMDPHJW-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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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 127048155) is 3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is N#Cc1cccc(C(=O)NCCc2nc(-c3cccc(F)c3)cs2)c1.
What is the InChIKey of 3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is GFRKPGMSMDPHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c20-16-6-2-4-14(10-16)17-12-25-18(23-17)7-8-22-19(24)15-5-1-3-13(9-15)11-21/h1-6,9-10,12H,7-8H2,(H,22,24).
What are the key properties of 3-cyano-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
3-cyano-N-[2-[4-(3-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-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 127048155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).