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

C9H13N5O2S — CID 154720528

IUPAC(3R,6S,8aS)-6-azido-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=[N+]=[N-])C(=O)N21
InChIInChI=1S/C9H13N5O2S/c1-11-8(15)6-4-17-7-3-2-5(12-13-10)9(16)14(6)7/h5-7H,2-4H2,1H3,(H,11,15)/t5-,6-,7-/m0/s1
InChIKeyLOBQMBMEOSTNET-ACZMJKKPSA-N
MW255.30 g/mol
LogP0.48
Rot. Bonds2

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

(3R,6S,8aS)-6-azido-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 154720528) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is (3R,6S,8aS)-6-azido-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-azido-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID154720528
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name(3R,6S,8aS)-6-azido-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=[N+]=[N-])C(=O)N21
InChIInChI=1S/C9H13N5O2S/c1-11-8(15)6-4-17-7-3-2-5(12-13-10)9(16)14(6)7/h5-7H,2-4H2,1H3,(H,11,15)/t5-,6-,7-/m0/s1
InChIKeyLOBQMBMEOSTNET-ACZMJKKPSA-N
XLogP0.48
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,6S,8aS)-6-azido-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-azido-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 154720528) is (3R,6S,8aS)-6-azido-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-azido-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-azido-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=[N+]=[N-])C(=O)N21.
What is the InChIKey of (3R,6S,8aS)-6-azido-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is LOBQMBMEOSTNET-ACZMJKKPSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-11-8(15)6-4-17-7-3-2-5(12-13-10)9(16)14(6)7/h5-7H,2-4H2,1H3,(H,11,15)/t5-,6-,7-/m0/s1.
What are the key properties of (3R,6S,8aS)-6-azido-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
(3R,6S,8aS)-6-azido-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 255.30 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,8aS)-6-azido-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 154720528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).