(3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

C17H25N3O2S — CID 97362893

IUPAC(3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NC1CCCC1)[C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21
InChIInChI=1S/C17H25N3O2S/c21-17(19-12-3-1-2-4-12)14-9-20(11-16-18-6-8-23-16)10-15-13(14)5-7-22-15/h6,8,12-15H,1-5,7,9-11H2,(H,19,21)/t13-,14+,15+/m0/s1
InChIKeyMPSAAZCUSFRURR-RRFJBIMHSA-N
MW335.47 g/mol
LogP2.04
Rot. Bonds4

About (3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

(3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (PubChem CID 97362893) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
PubChem CID97362893
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NC1CCCC1)[C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21
InChIInChI=1S/C17H25N3O2S/c21-17(19-12-3-1-2-4-12)14-9-20(11-16-18-6-8-23-16)10-15-13(14)5-7-22-15/h6,8,12-15H,1-5,7,9-11H2,(H,19,21)/t13-,14+,15+/m0/s1
InChIKeyMPSAAZCUSFRURR-RRFJBIMHSA-N
XLogP2.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of (3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (CID 97362893) is (3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for (3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for (3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is O=C(NC1CCCC1)[C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21.
What is the InChIKey of (3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The InChIKey is MPSAAZCUSFRURR-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-17(19-12-3-1-2-4-12)14-9-20(11-16-18-6-8-23-16)10-15-13(14)5-7-22-15/h6,8,12-15H,1-5,7,9-11H2,(H,19,21)/t13-,14+,15+/m0/s1.
What are the key properties of (3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
(3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,7aS)-N-cyclopentyl-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 97362893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).