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

C17H25N3O3S — CID 97482859

IUPAC2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
SMILESCc1csc(CN2C[C@@H]3C[C@H](CC(=O)N4CCCCO4)O[C@@H]3C2)n1
InChIInChI=1S/C17H25N3O3S/c1-12-11-24-16(18-12)10-19-8-13-6-14(23-15(13)9-19)7-17(21)20-4-2-3-5-22-20/h11,13-15H,2-10H2,1H3/t13-,14+,15+/m0/s1
InChIKeyOMZOXHITEQGKJQ-RRFJBIMHSA-N
MW351.47 g/mol
LogP1.98
Rot. Bonds4

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

2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone (PubChem CID 97482859) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone.

Molecular Properties

Compound Name2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
PubChem CID97482859
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
SMILESCc1csc(CN2C[C@@H]3C[C@H](CC(=O)N4CCCCO4)O[C@@H]3C2)n1
InChIInChI=1S/C17H25N3O3S/c1-12-11-24-16(18-12)10-19-8-13-6-14(23-15(13)9-19)7-17(21)20-4-2-3-5-22-20/h11,13-15H,2-10H2,1H3/t13-,14+,15+/m0/s1
InChIKeyOMZOXHITEQGKJQ-RRFJBIMHSA-N
XLogP1.98
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone with MolForge

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Related Compounds

[(2R,3aS,6aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone
CID 97458512
2-[(2S,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(azetidin-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155837019
2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(azetidin-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155853858
2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155856315
[(3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155864194
2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 75423621
2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95934419
2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95934420
[(2S,3aS,6aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone
CID 97387170
[(2R)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97423327
[(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97423328
[(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97423337

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The IUPAC name of 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone (CID 97482859) is 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone.
What is the SMILES notation for 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The canonical SMILES for 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone is Cc1csc(CN2C[C@@H]3C[C@H](CC(=O)N4CCCCO4)O[C@@H]3C2)n1.
What is the InChIKey of 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The InChIKey is OMZOXHITEQGKJQ-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-12-11-24-16(18-12)10-19-8-13-6-14(23-15(13)9-19)7-17(21)20-4-2-3-5-22-20/h11,13-15H,2-10H2,1H3/t13-,14+,15+/m0/s1.
What are the key properties of 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone has a molecular weight of 351.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone is sourced from PubChem (CID 97482859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).