[(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone

C15H21N3O3S — CID 97461064

IUPAC[(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H]2[C@H](CCN2Cc2nccs2)O1)N1CCOCC1
InChIInChI=1S/C15H21N3O3S/c19-15(17-4-6-20-7-5-17)13-9-11-12(21-13)1-3-18(11)10-14-16-2-8-22-14/h2,8,11-13H,1,3-7,9-10H2/t11-,12-,13-/m0/s1
InChIKeyDUQKHAPVXHXTJJ-AVGNSLFASA-N
MW323.42 g/mol
LogP0.73
Rot. Bonds3

About [(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone

[(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone (PubChem CID 97461064) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is [(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone
PubChem CID97461064
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name[(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H]2[C@H](CCN2Cc2nccs2)O1)N1CCOCC1
InChIInChI=1S/C15H21N3O3S/c19-15(17-4-6-20-7-5-17)13-9-11-12(21-13)1-3-18(11)10-14-16-2-8-22-14/h2,8,11-13H,1,3-7,9-10H2/t11-,12-,13-/m0/s1
InChIKeyDUQKHAPVXHXTJJ-AVGNSLFASA-N
XLogP0.73
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone (CID 97461064) is [(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-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-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@H]2[C@H](CCN2Cc2nccs2)O1)N1CCOCC1.
What is the InChIKey of [(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is DUQKHAPVXHXTJJ-AVGNSLFASA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-15(17-4-6-20-7-5-17)13-9-11-12(21-13)1-3-18(11)10-14-16-2-8-22-14/h2,8,11-13H,1,3-7,9-10H2/t11-,12-,13-/m0/s1.
What are the key properties of [(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone?
[(2S,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 323.42 g/mol, XLogP of 0.73, 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-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97461064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).