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

C18H27N3O2S — CID 97387966

IUPAC(3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESCc1ncsc1CN1C[C@H](C(=O)NC2CCCC2)[C@@H]2CCO[C@@H]2C1
InChIInChI=1S/C18H27N3O2S/c1-12-17(24-11-19-12)10-21-8-15(14-6-7-23-16(14)9-21)18(22)20-13-4-2-3-5-13/h11,13-16H,2-10H2,1H3,(H,20,22)/t14-,15-,16+/m0/s1
InChIKeyWOBLZCYDGHKADA-HRCADAONSA-N
MW349.50 g/mol
LogP2.35
Rot. Bonds4

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

(3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (PubChem CID 97387966) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
PubChem CID97387966
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESCc1ncsc1CN1C[C@H](C(=O)NC2CCCC2)[C@@H]2CCO[C@@H]2C1
InChIInChI=1S/C18H27N3O2S/c1-12-17(24-11-19-12)10-21-8-15(14-6-7-23-16(14)9-21)18(22)20-13-4-2-3-5-13/h11,13-16H,2-10H2,1H3,(H,20,22)/t14-,15-,16+/m0/s1
InChIKeyWOBLZCYDGHKADA-HRCADAONSA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-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,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of (3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (CID 97387966) is (3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for (3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for (3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is Cc1ncsc1CN1C[C@H](C(=O)NC2CCCC2)[C@@H]2CCO[C@@H]2C1.
What is the InChIKey of (3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The InChIKey is WOBLZCYDGHKADA-HRCADAONSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12-17(24-11-19-12)10-21-8-15(14-6-7-23-16(14)9-21)18(22)20-13-4-2-3-5-13/h11,13-16H,2-10H2,1H3,(H,20,22)/t14-,15-,16+/m0/s1.
What are the key properties of (3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
(3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,7aS)-N-cyclopentyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 97387966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).