6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C16H9FN4OS — CID 174974077

IUPAC6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESN#Cc1sc(-c2ccc(C(N)=O)cn2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H9FN4OS/c17-11-4-1-9(2-5-11)14-13(7-18)23-16(21-14)12-6-3-10(8-20-12)15(19)22/h1-6,8H,(H2,19,22)
InChIKeyDAZBFEGPSCKLLF-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.98
Rot. Bonds3

About 6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 174974077) has the molecular formula C16H9FN4OS and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID174974077
Molecular FormulaC16H9FN4OS
Molecular Weight324.34 g/mol
Exact Mass324.05
IUPAC Name6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESN#Cc1sc(-c2ccc(C(N)=O)cn2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H9FN4OS/c17-11-4-1-9(2-5-11)14-13(7-18)23-16(21-14)12-6-3-10(8-20-12)15(19)22/h1-6,8H,(H2,19,22)
InChIKeyDAZBFEGPSCKLLF-UHFFFAOYSA-N
XLogP2.98
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 174974077) is 6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is N#Cc1sc(-c2ccc(C(N)=O)cn2)nc1-c1ccc(F)cc1.
What is the InChIKey of 6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is DAZBFEGPSCKLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4OS/c17-11-4-1-9(2-5-11)14-13(7-18)23-16(21-14)12-6-3-10(8-20-12)15(19)22/h1-6,8H,(H2,19,22).
What are the key properties of 6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 174974077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).