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

C15H14ClN3OS — CID 3242175

IUPAC3-(4-chlorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccc(Cl)cc2)N1c1nccs1
InChIInChI=1S/C15H14ClN3OS/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
InChIKeyQPCVGZYTVXPYST-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.31
Rot. Bonds2

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

3-(4-chlorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3242175) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3242175
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name3-(4-chlorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2ccc(Cl)cc2)N1c1nccs1
InChIInChI=1S/C15H14ClN3OS/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
InChIKeyQPCVGZYTVXPYST-UHFFFAOYSA-N
XLogP3.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-Dichlorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 3024635
N-[(4-chlorophenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 1973551
4-Thiazolidinone, 2-(2-chloro-6-fluorophenyl)-3-(2-thiazolyl)-
CID 339225
3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3242792
3-phenyl-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3243726
1-(4-Chlorobenzoyl)-4-(1,3-thiazol-2-yl)piperazine
CID 17523791
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 156011611
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(1,3-thiazol-4-yl)pyrrolidine-2-carboxamide
CID 156014259
2-(3,4-Dichlorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 3629584
2-[3-(4-Chloro-benzyl)-2,4-dioxo-thiazolidin-5-yl]-N-thiazol-2-yl-acetamide
CID 3717231
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-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-chlorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3242175) is 3-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2ccc(Cl)cc2)N1c1nccs1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is QPCVGZYTVXPYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/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-chlorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-(4-chlorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 319.82 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(1,3-thiazol-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3242175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).