(4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine

C15H21N3OS2 — CID 97144222

IUPAC(4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
SMILESCc1cn2c(CN3CCS[C@@H]4COCC[C@@H]43)c(C)nc2s1
InChIInChI=1S/C15H21N3OS2/c1-10-7-18-13(11(2)16-15(18)21-10)8-17-4-6-20-14-9-19-5-3-12(14)17/h7,12,14H,3-6,8-9H2,1-2H3/t12-,14+/m0/s1
InChIKeyJQURBPDTBIRQTN-GXTWGEPZSA-N
MW323.49 g/mol
LogP2.72
Rot. Bonds2

About (4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine

(4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine (PubChem CID 97144222) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is (4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine.

Molecular Properties

Compound Name(4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
PubChem CID97144222
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name(4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
SMILESCc1cn2c(CN3CCS[C@@H]4COCC[C@@H]43)c(C)nc2s1
InChIInChI=1S/C15H21N3OS2/c1-10-7-18-13(11(2)16-15(18)21-10)8-17-4-6-20-14-9-19-5-3-12(14)17/h7,12,14H,3-6,8-9H2,1-2H3/t12-,14+/m0/s1
InChIKeyJQURBPDTBIRQTN-GXTWGEPZSA-N
XLogP2.72
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine?
The IUPAC name of (4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine (CID 97144222) is (4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine.
What is the SMILES notation for (4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine?
The canonical SMILES for (4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine is Cc1cn2c(CN3CCS[C@@H]4COCC[C@@H]43)c(C)nc2s1.
What is the InChIKey of (4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine?
The InChIKey is JQURBPDTBIRQTN-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-10-7-18-13(11(2)16-15(18)21-10)8-17-4-6-20-14-9-19-5-3-12(14)17/h7,12,14H,3-6,8-9H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of (4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine?
(4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine has a molecular weight of 323.49 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine is sourced from PubChem (CID 97144222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).