(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

C14H18N4O2S — CID 97369792

IUPAC(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
SMILESCc1nc([C@@H]2C[C@@H]3CCN(Cc4nccs4)C[C@H]3O2)no1
InChIInChI=1S/C14H18N4O2S/c1-9-16-14(17-20-9)11-6-10-2-4-18(7-12(10)19-11)8-13-15-3-5-21-13/h3,5,10-12H,2,4,6-8H2,1H3/t10-,11-,12+/m0/s1
InChIKeyILCWFINJSHJVHA-SDDRHHMPSA-N
MW306.39 g/mol
LogP2.19
Rot. Bonds3

About (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

(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 (PubChem CID 97369792) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97369792
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name(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
SMILESCc1nc([C@@H]2C[C@@H]3CCN(Cc4nccs4)C[C@H]3O2)no1
InChIInChI=1S/C14H18N4O2S/c1-9-16-14(17-20-9)11-6-10-2-4-18(7-12(10)19-11)8-13-15-3-5-21-13/h3,5,10-12H,2,4,6-8H2,1H3/t10-,11-,12+/m0/s1
InChIKeyILCWFINJSHJVHA-SDDRHHMPSA-N
XLogP2.19
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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
(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)-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
(2S,3aS,7aS)-6-[(5-methylfuran-2-yl)methyl]-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369667
(2S,3aS,7aS)-2-(2-methylpyrimidin-4-yl)-6-[(3-methylthiophen-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369771
(2S,3aR,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124815526
(2R,3aS,6aS)-2-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369160
(2R,3aR,7aR)-6-(furan-3-ylmethyl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 133143359
(2R,3aS,7aS)-6-(furan-3-ylmethyl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97392606
(2S,3aR,7aR)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124806411
(2S,3aR,7aR)-N-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781304
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc([C@@H]2C[C@@H]3CCN(Cc4nccs4)C[C@H]3O2)no1.
What is the InChIKey of (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?
The InChIKey is ILCWFINJSHJVHA-SDDRHHMPSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-16-14(17-20-9)11-6-10-2-4-18(7-12(10)19-11)8-13-15-3-5-21-13/h3,5,10-12H,2,4,6-8H2,1H3/t10-,11-,12+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 306.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97369792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).