(2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C12H18N2OS — CID 97385057

IUPAC(2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESC[C@H]1C[C@@H]2CCN(Cc3nccs3)C[C@H]2O1
InChIInChI=1S/C12H18N2OS/c1-9-6-10-2-4-14(7-11(10)15-9)8-12-13-3-5-16-12/h3,5,9-11H,2,4,6-8H2,1H3/t9-,10-,11+/m0/s1
InChIKeyJQCDZMAPDHVLLS-GARJFASQSA-N
MW238.36 g/mol
LogP2.14
Rot. Bonds2

About (2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97385057) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97385057
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESC[C@H]1C[C@@H]2CCN(Cc3nccs3)C[C@H]2O1
InChIInChI=1S/C12H18N2OS/c1-9-6-10-2-4-14(7-11(10)15-9)8-12-13-3-5-16-12/h3,5,9-11H,2,4,6-8H2,1H3/t9-,10-,11+/m0/s1
InChIKeyJQCDZMAPDHVLLS-GARJFASQSA-N
XLogP2.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97385057) is (2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is C[C@H]1C[C@@H]2CCN(Cc3nccs3)C[C@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is JQCDZMAPDHVLLS-GARJFASQSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-6-10-2-4-14(7-11(10)15-9)8-12-13-3-5-16-12/h3,5,9-11H,2,4,6-8H2,1H3/t9-,10-,11+/m0/s1.
What are the key properties of (2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 238.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-2-methyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 97385057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).