(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

C18H16F2N4O2S — CID 157153562

IUPAC(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(noc3-c3cscn3)C[C@@H]2C)cc(F)c1F
InChIInChI=1S/C18H16F2N4O2S/c1-9-3-11(5-13(19)16(9)20)22-18(25)24-6-12-14(4-10(24)2)23-26-17(12)15-7-27-8-21-15/h3,5,7-8,10H,4,6H2,1-2H3,(H,22,25)/t10-/m0/s1
InChIKeyYESMLNHZZUOJRD-JTQLQIEISA-N
MW390.42 g/mol
LogP4.36
Rot. Bonds2

About (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 157153562) has the molecular formula C18H16F2N4O2S and a molecular weight of 390.42 g/mol. Its IUPAC name is (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
PubChem CID157153562
Molecular FormulaC18H16F2N4O2S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(noc3-c3cscn3)C[C@@H]2C)cc(F)c1F
InChIInChI=1S/C18H16F2N4O2S/c1-9-3-11(5-13(19)16(9)20)22-18(25)24-6-12-14(4-10(24)2)23-26-17(12)15-7-27-8-21-15/h3,5,7-8,10H,4,6H2,1-2H3,(H,22,25)/t10-/m0/s1
InChIKeyYESMLNHZZUOJRD-JTQLQIEISA-N
XLogP4.36
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (CID 157153562) is (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(NC(=O)N2Cc3c(noc3-c3cscn3)C[C@@H]2C)cc(F)c1F.
What is the InChIKey of (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is YESMLNHZZUOJRD-JTQLQIEISA-N. The full InChI is InChI=1S/C18H16F2N4O2S/c1-9-3-11(5-13(19)16(9)20)22-18(25)24-6-12-14(4-10(24)2)23-26-17(12)15-7-27-8-21-15/h3,5,7-8,10H,4,6H2,1-2H3,(H,22,25)/t10-/m0/s1.
What are the key properties of (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
(6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3,4-difluoro-5-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 157153562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).