3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide

C19H15FN4O2S — CID 71158530

IUPAC3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide
SMILESCC1N=C(c2ncco2)SC1c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C19H15FN4O2S/c1-11-16(27-19(23-11)18-22-8-9-26-18)12-2-4-13(5-3-12)24-17(25)14-6-7-21-10-15(14)20/h2-11,16H,1H3,(H,24,25)
InChIKeyGGMWCDTUWAWDJJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.08
Rot. Bonds4

About 3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide

3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide (PubChem CID 71158530) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide
PubChem CID71158530
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide
SMILESCC1N=C(c2ncco2)SC1c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C19H15FN4O2S/c1-11-16(27-19(23-11)18-22-8-9-26-18)12-2-4-13(5-3-12)24-17(25)14-6-7-21-10-15(14)20/h2-11,16H,1H3,(H,24,25)
InChIKeyGGMWCDTUWAWDJJ-UHFFFAOYSA-N
XLogP4.08
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide (CID 71158530) is 3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide is CC1N=C(c2ncco2)SC1c1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of 3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is GGMWCDTUWAWDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-11-16(27-19(23-11)18-22-8-9-26-18)12-2-4-13(5-3-12)24-17(25)14-6-7-21-10-15(14)20/h2-11,16H,1H3,(H,24,25).
What are the key properties of 3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide?
3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 71158530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).