4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one

C24H22Cl2N4O2S — CID 71472830

IUPAC4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
SMILESCCC1=C(C(=O)N2CCNC(=O)C2)SC2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
InChIInChI=1S/C24H22Cl2N4O2S/c1-2-18-22(23(32)29-12-11-27-19(31)13-29)33-24-28-20(14-3-7-16(25)8-4-14)21(30(18)24)15-5-9-17(26)10-6-15/h3-10,20-21H,2,11-13H2,1H3,(H,27,31)
InChIKeyUPEPITCUKHSMLK-UHFFFAOYSA-N
MW501.44 g/mol
LogP4.77
Rot. Bonds4

About 4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one

4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one (PubChem CID 71472830) has the molecular formula C24H22Cl2N4O2S and a molecular weight of 501.44 g/mol. Its IUPAC name is 4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
PubChem CID71472830
Molecular FormulaC24H22Cl2N4O2S
Molecular Weight501.44 g/mol
Exact Mass500.08
IUPAC Name4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
SMILESCCC1=C(C(=O)N2CCNC(=O)C2)SC2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
InChIInChI=1S/C24H22Cl2N4O2S/c1-2-18-22(23(32)29-12-11-27-19(31)13-29)33-24-28-20(14-3-7-16(25)8-4-14)21(30(18)24)15-5-9-17(26)10-6-15/h3-10,20-21H,2,11-13H2,1H3,(H,27,31)
InChIKeyUPEPITCUKHSMLK-UHFFFAOYSA-N
XLogP4.77
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-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

1-[5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,4-diazepan-5-one
CID 58007479
4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one
CID 70940811
4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one
CID 143692244
4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880931
[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 71453054
(5R,6S)-5,6-bis(4-chlorophenyl)-N-methyl-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 146994586
4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880947
4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methylsulfinylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 11854388
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 122606268
(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide
CID 143692049
4-[(4R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 71023979
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880928

Frequently Asked Questions

What is the IUPAC name of 4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one (CID 71472830) is 4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one is CCC1=C(C(=O)N2CCNC(=O)C2)SC2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.
What is the InChIKey of 4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
The InChIKey is UPEPITCUKHSMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O2S/c1-2-18-22(23(32)29-12-11-27-19(31)13-29)33-24-28-20(14-3-7-16(25)8-4-14)21(30(18)24)15-5-9-17(26)10-6-15/h3-10,20-21H,2,11-13H2,1H3,(H,27,31).
What are the key properties of 4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one has a molecular weight of 501.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 71472830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).