3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C15H15N3OS — CID 3243726

IUPAC3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccccc2)N1c1nccs1
InChIInChI=1S/C15H15N3OS/c19-14-12-7-4-9-17(12)13(11-5-2-1-3-6-11)18(14)15-16-8-10-20-15/h1-3,5-6,8,10,12-13H,4,7,9H2
InChIKeyREWLCLBPTOHABV-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.65
Rot. Bonds2

About 3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3243726) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3243726
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccccc2)N1c1nccs1
InChIInChI=1S/C15H15N3OS/c19-14-12-7-4-9-17(12)13(11-5-2-1-3-6-11)18(14)15-16-8-10-20-15/h1-3,5-6,8,10,12-13H,4,7,9H2
InChIKeyREWLCLBPTOHABV-UHFFFAOYSA-N
XLogP2.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3242175
3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3242792
2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3827607
Stk050261
CID 2255346
N-(1-Phenyl-ethyl)-N'-thiazol-2-yl-oxalamide
CID 5096351
2-phenyl-2-(1-pyrrolidinyl)-N-(1,3-thiazol-2-yl)acetamide
CID 5168984
N-Benzyl-N-cyclohexylcarbamoylmethyl-N'-thiazol-2-yl-succinamide
CID 3205437
N-Benzyl-N-cyclopentylcarbamoylmethyl-N'-thiazol-2-yl-succinamide
CID 3205404
3-pyridin-3-yl-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3235763
3-(3-methylphenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3237346
3-(4-methylphenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3244326
3-(2-methylphenyl)-2-(2-thiazolyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 4393950

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3243726) is 3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2ccccc2)N1c1nccs1.
What is the InChIKey of 3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is REWLCLBPTOHABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-14-12-7-4-9-17(12)13(11-5-2-1-3-6-11)18(14)15-16-8-10-20-15/h1-3,5-6,8,10,12-13H,4,7,9H2.
What are the key properties of 3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 285.37 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3243726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).