(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

C17H20N2O2S — CID 133142739

IUPAC(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
SMILESc1cc(CN2C[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@H]3C2)co1
InChIInChI=1S/C17H20N2O2S/c1-2-12(1)14-10-22-17(18-14)15-5-13-7-19(8-16(13)21-15)6-11-3-4-20-9-11/h3-4,9-10,12-13,15-16H,1-2,5-8H2/t13-,15-,16+/m1/s1
InChIKeyKMDYNVPVVVXHQI-BMFZPTHFSA-N
MW316.43 g/mol
LogP3.58
Rot. Bonds4

About (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

(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 (PubChem CID 133142739) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID133142739
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(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
SMILESc1cc(CN2C[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@H]3C2)co1
InChIInChI=1S/C17H20N2O2S/c1-2-12(1)14-10-22-17(18-14)15-5-13-7-19(8-16(13)21-15)6-11-3-4-20-9-11/h3-4,9-10,12-13,15-16H,1-2,5-8H2/t13-,15-,16+/m1/s1
InChIKeyKMDYNVPVVVXHQI-BMFZPTHFSA-N
XLogP3.58
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is c1cc(CN2C[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@H]3C2)co1.
What is the InChIKey of (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?
The InChIKey is KMDYNVPVVVXHQI-BMFZPTHFSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-12(1)14-10-22-17(18-14)15-5-13-7-19(8-16(13)21-15)6-11-3-4-20-9-11/h3-4,9-10,12-13,15-16H,1-2,5-8H2/t13-,15-,16+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 316.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 133142739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).