3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide

C17H14FN3OS — CID 53201180

IUPAC3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(F)cc2)ns1)c1ccccn1
InChIInChI=1S/C17H14FN3OS/c1-11(14-4-2-3-9-19-14)20-17(22)16-10-15(21-23-16)12-5-7-13(18)8-6-12/h2-11H,1H3,(H,20,22)
InChIKeyGBEVGDLHPDTDOG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.84
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide

3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide (PubChem CID 53201180) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide
PubChem CID53201180
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(F)cc2)ns1)c1ccccn1
InChIInChI=1S/C17H14FN3OS/c1-11(14-4-2-3-9-19-14)20-17(22)16-10-15(21-23-16)12-5-7-13(18)8-6-12/h2-11H,1H3,(H,20,22)
InChIKeyGBEVGDLHPDTDOG-UHFFFAOYSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide (CID 53201180) is 3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide is CC(NC(=O)c1cc(-c2ccc(F)cc2)ns1)c1ccccn1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide?
The InChIKey is GBEVGDLHPDTDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-11(14-4-2-3-9-19-14)20-17(22)16-10-15(21-23-16)12-5-7-13(18)8-6-12/h2-11H,1H3,(H,20,22).
What are the key properties of 3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide?
3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 53201180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).