(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

C18H22N2O2S — CID 124801973

IUPAC(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
SMILESc1coc(CN2CC[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@H]3C2)c1
InChIInChI=1S/C18H22N2O2S/c1-2-14(21-7-1)9-20-6-5-13-8-16(22-17(13)10-20)18-19-15(11-23-18)12-3-4-12/h1-2,7,11-13,16-17H,3-6,8-10H2/t13-,16-,17+/m1/s1
InChIKeyZCQFPPZSNICEID-XYPHTWIQSA-N
MW330.45 g/mol
LogP3.97
Rot. Bonds4

About (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

(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 (PubChem CID 124801973) 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-2-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-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID124801973
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-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESc1coc(CN2CC[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@H]3C2)c1
InChIInChI=1S/C18H22N2O2S/c1-2-14(21-7-1)9-20-6-5-13-8-16(22-17(13)10-20)18-19-15(11-23-18)12-3-4-12/h1-2,7,11-13,16-17H,3-6,8-10H2/t13-,16-,17+/m1/s1
InChIKeyZCQFPPZSNICEID-XYPHTWIQSA-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-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

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Related Compounds

(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
(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
(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
(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-2-ylmethyl)-N-(2-pyridin-4-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366835
(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,3aS,7aS)-2-pyrimidin-4-yl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369723
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
(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
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124810298

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is c1coc(CN2CC[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@H]3C2)c1.
What is the InChIKey of (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?
The InChIKey is ZCQFPPZSNICEID-XYPHTWIQSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-14(21-7-1)9-20-6-5-13-8-16(22-17(13)10-20)18-19-15(11-23-18)12-3-4-12/h1-2,7,11-13,16-17H,3-6,8-10H2/t13-,16-,17+/m1/s1.
What are the key properties of (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?
(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 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-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 124801973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).