4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine

C12H19N3O2S — CID 131657185

IUPAC4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCOCC12CCCOC1CCN(c1nncs1)C2
InChIInChI=1S/C12H19N3O2S/c1-16-8-12-4-2-6-17-10(12)3-5-15(7-12)11-14-13-9-18-11/h9-10H,2-8H2,1H3
InChIKeyXZUHNMAUUSFIPA-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.56
Rot. Bonds3

About 4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine

4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (PubChem CID 131657185) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.

Molecular Properties

Compound Name4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
PubChem CID131657185
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCOCC12CCCOC1CCN(c1nncs1)C2
InChIInChI=1S/C12H19N3O2S/c1-16-8-12-4-2-6-17-10(12)3-5-15(7-12)11-14-13-9-18-11/h9-10H,2-8H2,1H3
InChIKeyXZUHNMAUUSFIPA-UHFFFAOYSA-N
XLogP1.56
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

(4aS,8aS)-4a-(methoxymethyl)-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98810525
(4aR,8aS)-4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363005
4a-(methoxymethyl)-6-(1,3-thiazol-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131647084
(4aS,8aS)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-4a-(prop-2-enoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98810614
(4aR,8aS)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-4a-(prop-2-enoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363687
(4aR,8aS)-6-(furan-2-ylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97379448
2-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-1,3,4-thiadiazole
CID 118738992
4a-(methoxymethyl)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131646148
1-[(4aS,8aR)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-2-methoxyethanone
CID 97379513
(4aS,8aR)-4a-(propan-2-yloxymethyl)-6-pyrimidin-4-yl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97364448
(4aR,8aS)-6-[2-(3,4-dimethoxyphenyl)ethyl]-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363155
4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
CID 131650066

Frequently Asked Questions

What is the IUPAC name of 4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The IUPAC name of 4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (CID 131657185) is 4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.
What is the SMILES notation for 4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The canonical SMILES for 4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is COCC12CCCOC1CCN(c1nncs1)C2.
What is the InChIKey of 4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The InChIKey is XZUHNMAUUSFIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-16-8-12-4-2-6-17-10(12)3-5-15(7-12)11-14-13-9-18-11/h9-10H,2-8H2,1H3.
What are the key properties of 4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine has a molecular weight of 269.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(methoxymethyl)-6-(1,3,4-thiadiazol-2-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is sourced from PubChem (CID 131657185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).