N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

C17H14FN3OS — CID 48846789

IUPACN-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1csc(-c2ccccn2)n1
InChIInChI=1S/C17H14FN3OS/c18-13-6-4-12(5-7-13)8-10-20-16(22)15-11-23-17(21-15)14-3-1-2-9-19-14/h1-7,9,11H,8,10H2,(H,20,22)
InChIKeyUFMXXJXLPLOHJZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 48846789) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID48846789
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1csc(-c2ccccn2)n1
InChIInChI=1S/C17H14FN3OS/c18-13-6-4-12(5-7-13)8-10-20-16(22)15-11-23-17(21-15)14-3-1-2-9-19-14/h1-7,9,11H,8,10H2,(H,20,22)
InChIKeyUFMXXJXLPLOHJZ-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 48846789) is N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is O=C(NCCc1ccc(F)cc1)c1csc(-c2ccccn2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is UFMXXJXLPLOHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-13-6-4-12(5-7-13)8-10-20-16(22)15-11-23-17(21-15)14-3-1-2-9-19-14/h1-7,9,11H,8,10H2,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 48846789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).