(2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C18H22N2O2S — CID 124802108

IUPAC(2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESc1cc(CN2CC[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@H]3C2)co1
InChIInChI=1S/C18H22N2O2S/c1-2-13(1)15-11-23-18(19-15)16-7-14-3-5-20(9-17(14)22-16)8-12-4-6-21-10-12/h4,6,10-11,13-14,16-17H,1-3,5,7-9H2/t14-,16-,17+/m1/s1
InChIKeyLPAPXWHRTZNUCI-OIISXLGYSA-N
MW330.45 g/mol
LogP3.97
Rot. Bonds4

About (2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 124802108) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID124802108
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESc1cc(CN2CC[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@H]3C2)co1
InChIInChI=1S/C18H22N2O2S/c1-2-13(1)15-11-23-18(19-15)16-7-14-3-5-20(9-17(14)22-16)8-12-4-6-21-10-12/h4,6,10-11,13-14,16-17H,1-3,5,7-9H2/t14-,16-,17+/m1/s1
InChIKeyLPAPXWHRTZNUCI-OIISXLGYSA-N
XLogP3.97
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

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Related Compounds

(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 133142739
(2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124801973
(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
(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
[(2S,3aS,7aS)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97366669
[(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone
CID 133135852
(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
(2R,3aR,7aR)-5-(furan-3-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 124830929
(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,7aR)-6-(furan-3-ylmethyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97408270
(2S,3aR,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 125190339
(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388672

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 124802108) is (2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is c1cc(CN2CC[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@H]3C2)co1.
What is the InChIKey of (2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is LPAPXWHRTZNUCI-OIISXLGYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-13(1)15-11-23-18(19-15)16-7-14-3-5-20(9-17(14)22-16)8-12-4-6-21-10-12/h4,6,10-11,13-14,16-17H,1-3,5,7-9H2/t14-,16-,17+/m1/s1.
What are the key properties of (2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 330.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 124802108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).