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

C9H15N3O2S — CID 154720527

IUPAC(3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCNC(=O)[C@@H]1CS[C@H]2CC[C@H](N)C(=O)N21
InChIInChI=1S/C9H15N3O2S/c1-11-8(13)6-4-15-7-3-2-5(10)9(14)12(6)7/h5-7H,2-4,10H2,1H3,(H,11,13)/t5-,6-,7-/m0/s1
InChIKeyQHPLYRDQVAVUNC-ACZMJKKPSA-N
MW229.30 g/mol
LogP-0.88
Rot. Bonds1

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

(3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 154720527) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is (3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID154720527
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name(3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCNC(=O)[C@@H]1CS[C@H]2CC[C@H](N)C(=O)N21
InChIInChI=1S/C9H15N3O2S/c1-11-8(13)6-4-15-7-3-2-5(10)9(14)12(6)7/h5-7H,2-4,10H2,1H3,(H,11,13)/t5-,6-,7-/m0/s1
InChIKeyQHPLYRDQVAVUNC-ACZMJKKPSA-N
XLogP-0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The IUPAC name of (3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 154720527) is (3R,6S,8aS)-6-amino-N-methyl-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,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The canonical SMILES for (3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is CNC(=O)[C@@H]1CS[C@H]2CC[C@H](N)C(=O)N21.
What is the InChIKey of (3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is QHPLYRDQVAVUNC-ACZMJKKPSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-11-8(13)6-4-15-7-3-2-5(10)9(14)12(6)7/h5-7H,2-4,10H2,1H3,(H,11,13)/t5-,6-,7-/m0/s1.
What are the key properties of (3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
(3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 229.30 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 154720527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).