2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide

C16H25N3O3S — CID 125217394

IUPAC2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@]12CCO[C@H]1CCN(Cc1nccs1)C2
InChIInChI=1S/C16H25N3O3S/c1-18(2)15(20)10-21-12-16-4-7-22-13(16)3-6-19(11-16)9-14-17-5-8-23-14/h5,8,13H,3-4,6-7,9-12H2,1-2H3/t13-,16-/m0/s1
InChIKeyOQRNOAJPDQMFOD-BBRMVZONSA-N
MW339.46 g/mol
LogP1.23
Rot. Bonds6

About 2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide

2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 125217394) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide
PubChem CID125217394
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@]12CCO[C@H]1CCN(Cc1nccs1)C2
InChIInChI=1S/C16H25N3O3S/c1-18(2)15(20)10-21-12-16-4-7-22-13(16)3-6-19(11-16)9-14-17-5-8-23-14/h5,8,13H,3-4,6-7,9-12H2,1-2H3/t13-,16-/m0/s1
InChIKeyOQRNOAJPDQMFOD-BBRMVZONSA-N
XLogP1.23
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide (CID 125217394) is 2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COC[C@@]12CCO[C@H]1CCN(Cc1nccs1)C2.
What is the InChIKey of 2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is OQRNOAJPDQMFOD-BBRMVZONSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18(2)15(20)10-21-12-16-4-7-22-13(16)3-6-19(11-16)9-14-17-5-8-23-14/h5,8,13H,3-4,6-7,9-12H2,1-2H3/t13-,16-/m0/s1.
What are the key properties of 2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide?
2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 339.46 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aS,7aS)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 125217394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).