3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C15H14FN3OS — CID 3242792

IUPAC3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccc(F)cc2)N1c1nccs1
InChIInChI=1S/C15H14FN3OS/c16-11-5-3-10(4-6-11)13-18-8-1-2-12(18)14(20)19(13)15-17-7-9-21-15/h3-7,9,12-13H,1-2,8H2
InChIKeyJRGAEFZWRBBMQS-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.79
Rot. Bonds2

About 3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3242792) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3242792
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccc(F)cc2)N1c1nccs1
InChIInChI=1S/C15H14FN3OS/c16-11-5-3-10(4-6-11)13-18-8-1-2-12(18)14(20)19(13)15-17-7-9-21-15/h3-7,9,12-13H,1-2,8H2
InChIKeyJRGAEFZWRBBMQS-UHFFFAOYSA-N
XLogP2.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.79
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-phenyl-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3243726
2-phenyl-2-(1-pyrrolidinyl)-N-(1,3-thiazol-2-yl)acetamide
CID 5168984
2-hydroxy-3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
CID 664219
N-Cyclopentylcarbamoylmethyl-N-(4-fluoro-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205407
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
2-(2,6-Difluorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 16728000
N-Cyclohexylcarbamoylmethyl-N-(4-fluoro-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205440
N-(4-Fluoro-benzyl)-N-(isopropylcarbamoyl-methyl)-N'-thiazol-2-yl-succinamide
CID 3205475

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3242792) is 3-(4-fluorophenyl)-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-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2ccc(F)cc2)N1c1nccs1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is JRGAEFZWRBBMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c16-11-5-3-10(4-6-11)13-18-8-1-2-12(18)14(20)19(13)15-17-7-9-21-15/h3-7,9,12-13H,1-2,8H2.
What are the key properties of 3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 303.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3242792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).