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

C12H15N5O2S — CID 124810595

IUPAC(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1nc([C@@H]2C[C@H]3CCN(c4nncs4)C[C@@H]3O2)no1
InChIInChI=1S/C12H15N5O2S/c1-7-14-11(16-19-7)9-4-8-2-3-17(5-10(8)18-9)12-15-13-6-20-12/h6,8-10H,2-5H2,1H3/t8-,9+,10+/m1/s1
InChIKeyPAPCAWPFVSWWRS-UTLUCORTSA-N
MW293.35 g/mol
LogP1.59
Rot. Bonds2

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

(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 124810595) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is (2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID124810595
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1nc([C@@H]2C[C@H]3CCN(c4nncs4)C[C@@H]3O2)no1
InChIInChI=1S/C12H15N5O2S/c1-7-14-11(16-19-7)9-4-8-2-3-17(5-10(8)18-9)12-15-13-6-20-12/h6,8-10H,2-5H2,1H3/t8-,9+,10+/m1/s1
InChIKeyPAPCAWPFVSWWRS-UTLUCORTSA-N
XLogP1.59
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-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

(2S,3aS,7aS)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369792
(2S,3aR,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124809720
1-[(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-methoxypropan-1-one
CID 124810796
(2R,3aS,7aS)-N-pyridin-3-yl-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366582
2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 169304025
(2S,3aR,7aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 133139624
(2S,3aR,7aR)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 125193619
[(2R,3aR,7aR)-2-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 133139611
(4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone
CID 155494338
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 97008727
[4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methanamine;dihydrochloride
CID 86811680
3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 130505371

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 124810595) is (2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(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 (2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is Cc1nc([C@@H]2C[C@H]3CCN(c4nncs4)C[C@@H]3O2)no1.
What is the InChIKey of (2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is PAPCAWPFVSWWRS-UTLUCORTSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-7-14-11(16-19-7)9-4-8-2-3-17(5-10(8)18-9)12-15-13-6-20-12/h6,8-10H,2-5H2,1H3/t8-,9+,10+/m1/s1.
What are the key properties of (2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 293.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aR)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 124810595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).