2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide

C15H23N3O2S — CID 97476175

IUPAC2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
SMILESCc1ncsc1CN1C[C@@H]2C[C@H](CC(=O)N(C)C)O[C@@H]2C1
InChIInChI=1S/C15H23N3O2S/c1-10-14(21-9-16-10)8-18-6-11-4-12(20-13(11)7-18)5-15(19)17(2)3/h9,11-13H,4-8H2,1-3H3/t11-,12+,13+/m0/s1
InChIKeyCKQUMDSUQMRVSS-YNEHKIRRSA-N
MW309.44 g/mol
LogP1.52
Rot. Bonds4

About 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide

2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide (PubChem CID 97476175) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
PubChem CID97476175
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
SMILESCc1ncsc1CN1C[C@@H]2C[C@H](CC(=O)N(C)C)O[C@@H]2C1
InChIInChI=1S/C15H23N3O2S/c1-10-14(21-9-16-10)8-18-6-11-4-12(20-13(11)7-18)5-15(19)17(2)3/h9,11-13H,4-8H2,1-3H3/t11-,12+,13+/m0/s1
InChIKeyCKQUMDSUQMRVSS-YNEHKIRRSA-N
XLogP1.52
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide (CID 97476175) is 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide is Cc1ncsc1CN1C[C@@H]2C[C@H](CC(=O)N(C)C)O[C@@H]2C1.
What is the InChIKey of 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide?
The InChIKey is CKQUMDSUQMRVSS-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-14(21-9-16-10)8-18-6-11-4-12(20-13(11)7-18)5-15(19)17(2)3/h9,11-13H,4-8H2,1-3H3/t11-,12+,13+/m0/s1.
What are the key properties of 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide?
2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide has a molecular weight of 309.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 97476175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).