3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

C18H17N3O2S — CID 60525800

IUPAC3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(c2ccc(-c3nc4ccccc4s3)o2)N2CCCCC12
InChIInChI=1S/C18H17N3O2S/c22-17-12-6-3-4-10-21(12)16(20-17)13-8-9-14(23-13)18-19-11-5-1-2-7-15(11)24-18/h1-2,5,7-9,12,16H,3-4,6,10H2,(H,20,22)
InChIKeyLGIHMJKCZLBTJI-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.54
Rot. Bonds2

About 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (PubChem CID 60525800) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
PubChem CID60525800
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(c2ccc(-c3nc4ccccc4s3)o2)N2CCCCC12
InChIInChI=1S/C18H17N3O2S/c22-17-12-6-3-4-10-21(12)16(20-17)13-8-9-14(23-13)18-19-11-5-1-2-7-15(11)24-18/h1-2,5,7-9,12,16H,3-4,6,10H2,(H,20,22)
InChIKeyLGIHMJKCZLBTJI-UHFFFAOYSA-N
XLogP3.54
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one with MolForge

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Related Compounds

3-[5-(2-nitrophenyl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 102554284
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
CID 112789748
5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 4877165
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 41218496
3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 60525654
2-(4-bromo-5-piperidin-1-ylfuran-2-yl)-1,3-benzothiazole
CID 126195533
3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 60525664
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide
CID 46476694
5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 94329999
5-(1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084323

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (CID 60525800) is 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is O=C1NC(c2ccc(-c3nc4ccccc4s3)o2)N2CCCCC12.
What is the InChIKey of 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The InChIKey is LGIHMJKCZLBTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17-12-6-3-4-10-21(12)16(20-17)13-8-9-14(23-13)18-19-11-5-1-2-7-15(11)24-18/h1-2,5,7-9,12,16H,3-4,6,10H2,(H,20,22).
What are the key properties of 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one has a molecular weight of 339.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 60525800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).