[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone

C14H15N3O2S — CID 120656276

IUPAC[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(-c2ccco2)s1)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C14H15N3O2S/c18-14(17-7-9-4-15-5-10(9)8-17)12-6-16-13(20-12)11-2-1-3-19-11/h1-3,6,9-10,15H,4-5,7-8H2/t9-,10+
InChIKeyVCOGQKGJCIFPKC-AOOOYVTPSA-N
MW289.36 g/mol
LogP1.69
Rot. Bonds2

About [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone

[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 120656276) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
PubChem CID120656276
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(-c2ccco2)s1)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C14H15N3O2S/c18-14(17-7-9-4-15-5-10(9)8-17)12-6-16-13(20-12)11-2-1-3-19-11/h1-3,6,9-10,15H,4-5,7-8H2/t9-,10+
InChIKeyVCOGQKGJCIFPKC-AOOOYVTPSA-N
XLogP1.69
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone (CID 120656276) is [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(-c2ccco2)s1)N1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone?
The InChIKey is VCOGQKGJCIFPKC-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-14(17-7-9-4-15-5-10(9)8-17)12-6-16-13(20-12)11-2-1-3-19-11/h1-3,6,9-10,15H,4-5,7-8H2/t9-,10+.
What are the key properties of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone?
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 289.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 120656276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).