(2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C11H17N3OS — CID 124809603

IUPAC(2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1nnc(N2CC[C@@H]3C[C@@H](C)O[C@H]3C2)s1
InChIInChI=1S/C11H17N3OS/c1-7-5-9-3-4-14(6-10(9)15-7)11-13-12-8(2)16-11/h7,9-10H,3-6H2,1-2H3/t7-,9-,10+/m1/s1
InChIKeyPARANMSBBPXOAR-QNSHHTMESA-N
MW239.34 g/mol
LogP1.85
Rot. Bonds1

About (2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 124809603) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID124809603
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1nnc(N2CC[C@@H]3C[C@@H](C)O[C@H]3C2)s1
InChIInChI=1S/C11H17N3OS/c1-7-5-9-3-4-14(6-10(9)15-7)11-13-12-8(2)16-11/h7,9-10H,3-6H2,1-2H3/t7-,9-,10+/m1/s1
InChIKeyPARANMSBBPXOAR-QNSHHTMESA-N
XLogP1.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-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 (2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 124809603) is (2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is Cc1nnc(N2CC[C@@H]3C[C@@H](C)O[C@H]3C2)s1.
What is the InChIKey of (2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is PARANMSBBPXOAR-QNSHHTMESA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-5-9-3-4-14(6-10(9)15-7)11-13-12-8(2)16-11/h7,9-10H,3-6H2,1-2H3/t7-,9-,10+/m1/s1.
What are the key properties of (2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 239.34 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 124809603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).