2-[(2S,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-cyclopropylacetamide

C16H23N3O2S — CID 97475769

IUPAC2-[(2S,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-cyclopropylacetamide
SMILESCc1ncsc1CN1C[C@@H]2C[C@@H](CC(=O)NC3CC3)O[C@@H]2C1
InChIInChI=1S/C16H23N3O2S/c1-10-15(22-9-17-10)8-19-6-11-4-13(21-14(11)7-19)5-16(20)18-12-2-3-12/h9,11-14H,2-8H2,1H3,(H,18,20)/t11-,13-,14+/m0/s1
InChIKeyCCWNJDVDVMLWOE-FPMFFAJLSA-N
MW321.45 g/mol
LogP1.71
Rot. Bonds5

About 2-[(2S,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-cyclopropylacetamide

2-[(2S,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-cyclopropylacetamide (PubChem CID 97475769) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[(2S,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-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2S,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-cyclopropylacetamide
PubChem CID97475769
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[(2S,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-cyclopropylacetamide
SMILESCc1ncsc1CN1C[C@@H]2C[C@@H](CC(=O)NC3CC3)O[C@@H]2C1
InChIInChI=1S/C16H23N3O2S/c1-10-15(22-9-17-10)8-19-6-11-4-13(21-14(11)7-19)5-16(20)18-12-2-3-12/h9,11-14H,2-8H2,1H3,(H,18,20)/t11-,13-,14+/m0/s1
InChIKeyCCWNJDVDVMLWOE-FPMFFAJLSA-N
XLogP1.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,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-cyclopropylacetamide?
The IUPAC name of 2-[(2S,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-cyclopropylacetamide (CID 97475769) is 2-[(2S,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-cyclopropylacetamide.
What is the SMILES notation for 2-[(2S,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-cyclopropylacetamide?
The canonical SMILES for 2-[(2S,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-cyclopropylacetamide is Cc1ncsc1CN1C[C@@H]2C[C@@H](CC(=O)NC3CC3)O[C@@H]2C1.
What is the InChIKey of 2-[(2S,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-cyclopropylacetamide?
The InChIKey is CCWNJDVDVMLWOE-FPMFFAJLSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10-15(22-9-17-10)8-19-6-11-4-13(21-14(11)7-19)5-16(20)18-12-2-3-12/h9,11-14H,2-8H2,1H3,(H,18,20)/t11-,13-,14+/m0/s1.
What are the key properties of 2-[(2S,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-cyclopropylacetamide?
2-[(2S,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-cyclopropylacetamide has a molecular weight of 321.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,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-cyclopropylacetamide is sourced from PubChem (CID 97475769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).