[(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone

C16H23N3O3S — CID 97362884

IUPAC[(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCOCC1
InChIInChI=1S/C16H23N3O3S/c20-16(19-3-6-21-7-4-19)13-9-18(11-15-17-2-8-23-15)10-14-12(13)1-5-22-14/h2,8,12-14H,1,3-7,9-11H2/t12-,13+,14+/m0/s1
InChIKeyMASLJDSVDWLQSW-BFHYXJOUSA-N
MW337.45 g/mol
LogP0.84
Rot. Bonds3

About [(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone

[(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone (PubChem CID 97362884) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is [(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
PubChem CID97362884
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name[(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCOCC1
InChIInChI=1S/C16H23N3O3S/c20-16(19-3-6-21-7-4-19)13-9-18(11-15-17-2-8-23-15)10-14-12(13)1-5-22-14/h2,8,12-14H,1,3-7,9-11H2/t12-,13+,14+/m0/s1
InChIKeyMASLJDSVDWLQSW-BFHYXJOUSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone (CID 97362884) is [(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone is O=C([C@@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCOCC1.
What is the InChIKey of [(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is MASLJDSVDWLQSW-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(19-3-6-21-7-4-19)13-9-18(11-15-17-2-8-23-15)10-14-12(13)1-5-22-14/h2,8,12-14H,1,3-7,9-11H2/t12-,13+,14+/m0/s1.
What are the key properties of [(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone?
[(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 337.45 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97362884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).