[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone

C16H23N3O3S — CID 97474460

IUPAC[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone
SMILESCc1csc(CN2C[C@@H]3COC[C@]3(C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C16H23N3O3S/c1-12-9-23-14(17-12)7-18-6-13-8-22-11-16(13,10-18)15(20)19-2-4-21-5-3-19/h9,13H,2-8,10-11H2,1H3/t13-,16-/m1/s1
InChIKeyFIPDQWHNLWQDHJ-CZUORRHYSA-N
MW337.45 g/mol
LogP0.76
Rot. Bonds3

About [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone

[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone (PubChem CID 97474460) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone
PubChem CID97474460
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone
SMILESCc1csc(CN2C[C@@H]3COC[C@]3(C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C16H23N3O3S/c1-12-9-23-14(17-12)7-18-6-13-8-22-11-16(13,10-18)15(20)19-2-4-21-5-3-19/h9,13H,2-8,10-11H2,1H3/t13-,16-/m1/s1
InChIKeyFIPDQWHNLWQDHJ-CZUORRHYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone (CID 97474460) is [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone is Cc1csc(CN2C[C@@H]3COC[C@]3(C(=O)N3CCOCC3)C2)n1.
What is the InChIKey of [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone?
The InChIKey is FIPDQWHNLWQDHJ-CZUORRHYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12-9-23-14(17-12)7-18-6-13-8-22-11-16(13,10-18)15(20)19-2-4-21-5-3-19/h9,13H,2-8,10-11H2,1H3/t13-,16-/m1/s1.
What are the key properties of [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone?
[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone has a molecular weight of 337.45 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97474460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).