(3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C14H21N3O2S — CID 125221267

IUPAC(3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCN(C)C(=O)[C@]12CCO[C@@H]1CCN(Cc1nccs1)C2
InChIInChI=1S/C14H21N3O2S/c1-16(2)13(18)14-4-7-19-11(14)3-6-17(10-14)9-12-15-5-8-20-12/h5,8,11H,3-4,6-7,9-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyWNWCDPZRZZOTAX-RISCZKNCSA-N
MW295.41 g/mol
LogP1.21
Rot. Bonds3

About (3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 125221267) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID125221267
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCN(C)C(=O)[C@]12CCO[C@@H]1CCN(Cc1nccs1)C2
InChIInChI=1S/C14H21N3O2S/c1-16(2)13(18)14-4-7-19-11(14)3-6-17(10-14)9-12-15-5-8-20-12/h5,8,11H,3-4,6-7,9-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyWNWCDPZRZZOTAX-RISCZKNCSA-N
XLogP1.21
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 125221267) is (3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CN(C)C(=O)[C@]12CCO[C@@H]1CCN(Cc1nccs1)C2.
What is the InChIKey of (3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is WNWCDPZRZZOTAX-RISCZKNCSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-16(2)13(18)14-4-7-19-11(14)3-6-17(10-14)9-12-15-5-8-20-12/h5,8,11H,3-4,6-7,9-10H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of (3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 125221267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).