[(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

C16H23N3O3S — CID 97387170

IUPAC[(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
SMILESCc1nc(CN2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)cs1
InChIInChI=1S/C16H23N3O3S/c1-11-17-12(10-23-11)9-19-3-2-14-13(19)8-15(22-14)16(20)18-4-6-21-7-5-18/h10,13-15H,2-9H2,1H3/t13-,14-,15-/m0/s1
InChIKeySGQBQMWZHROLSE-KKUMJFAQSA-N
MW337.45 g/mol
LogP1.04
Rot. Bonds3

About [(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

[(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 (PubChem CID 97387170) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID97387170
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name[(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
SMILESCc1nc(CN2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)cs1
InChIInChI=1S/C16H23N3O3S/c1-11-17-12(10-23-11)9-19-3-2-14-13(19)8-15(22-14)16(20)18-4-6-21-7-5-18/h10,13-15H,2-9H2,1H3/t13-,14-,15-/m0/s1
InChIKeySGQBQMWZHROLSE-KKUMJFAQSA-N
XLogP1.04
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1nc(CN2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)cs1.
What is the InChIKey of [(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?
The InChIKey is SGQBQMWZHROLSE-KKUMJFAQSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11-17-12(10-23-11)9-19-3-2-14-13(19)8-15(22-14)16(20)18-4-6-21-7-5-18/h10,13-15H,2-9H2,1H3/t13-,14-,15-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 337.45 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 97387170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).