(3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

C15H24N2O2S — CID 173252066

IUPAC(3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESNC(=O)[C@@H]1CSC2CC[C@@H](CC3CCCCC3)C(=O)N21
InChIInChI=1S/C15H24N2O2S/c16-14(18)12-9-20-13-7-6-11(15(19)17(12)13)8-10-4-2-1-3-5-10/h10-13H,1-9H2,(H2,16,18)/t11-,12-,13?/m0/s1
InChIKeyXOLZYRLBPZCPMT-VYAYZGMFSA-N
MW296.44 g/mol
LogP2.12
Rot. Bonds3

About (3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

(3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 173252066) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID173252066
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESNC(=O)[C@@H]1CSC2CC[C@@H](CC3CCCCC3)C(=O)N21
InChIInChI=1S/C15H24N2O2S/c16-14(18)12-9-20-13-7-6-11(15(19)17(12)13)8-10-4-2-1-3-5-10/h10-13H,1-9H2,(H2,16,18)/t11-,12-,13?/m0/s1
InChIKeyXOLZYRLBPZCPMT-VYAYZGMFSA-N
XLogP2.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The IUPAC name of (3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 173252066) is (3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.
What is the SMILES notation for (3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The canonical SMILES for (3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is NC(=O)[C@@H]1CSC2CC[C@@H](CC3CCCCC3)C(=O)N21.
What is the InChIKey of (3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is XOLZYRLBPZCPMT-VYAYZGMFSA-N. The full InChI is InChI=1S/C15H24N2O2S/c16-14(18)12-9-20-13-7-6-11(15(19)17(12)13)8-10-4-2-1-3-5-10/h10-13H,1-9H2,(H2,16,18)/t11-,12-,13?/m0/s1.
What are the key properties of (3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
(3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-(cyclohexylmethyl)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 173252066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).