1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine

C16H21N3OS — CID 84593574

IUPAC1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
SMILESCc1cccn2c(CN3CCSC4COCCC43)cnc12
InChIInChI=1S/C16H21N3OS/c1-12-3-2-5-19-13(9-17-16(12)19)10-18-6-8-21-15-11-20-7-4-14(15)18/h2-3,5,9,14-15H,4,6-8,10-11H2,1H3
InChIKeyDFSYIMBNOAVPEW-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.35
Rot. Bonds2

About 1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine

1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine (PubChem CID 84593574) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine.

Molecular Properties

Compound Name1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
PubChem CID84593574
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
SMILESCc1cccn2c(CN3CCSC4COCCC43)cnc12
InChIInChI=1S/C16H21N3OS/c1-12-3-2-5-19-13(9-17-16(12)19)10-18-6-8-21-15-11-20-7-4-14(15)18/h2-3,5,9,14-15H,4,6-8,10-11H2,1H3
InChIKeyDFSYIMBNOAVPEW-UHFFFAOYSA-N
XLogP2.35
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine 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 1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine?
The IUPAC name of 1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine (CID 84593574) is 1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine.
What is the SMILES notation for 1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine?
The canonical SMILES for 1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine is Cc1cccn2c(CN3CCSC4COCCC43)cnc12.
What is the InChIKey of 1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine?
The InChIKey is DFSYIMBNOAVPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-3-2-5-19-13(9-17-16(12)19)10-18-6-8-21-15-11-20-7-4-14(15)18/h2-3,5,9,14-15H,4,6-8,10-11H2,1H3.
What are the key properties of 1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine?
1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine has a molecular weight of 303.43 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine is sourced from PubChem (CID 84593574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).