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

C24H22Cl2N4O2S — CID 71453053

IUPAC4-[(5R,6S)-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=N[C@@H](c3ccc(Cl)cc3)[C@@H](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)/t20-,21+/m0/s1
InChIKeyUPEPITCUKHSMLK-LEWJYISDSA-N
MW501.44 g/mol
LogP4.77
Rot. Bonds4

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

4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one (PubChem CID 71453053) has the molecular formula C24H22Cl2N4O2S and a molecular weight of 501.44 g/mol. Its IUPAC name is 4-[(5R,6S)-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-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
PubChem CID71453053
Molecular FormulaC24H22Cl2N4O2S
Molecular Weight501.44 g/mol
Exact Mass500.08
IUPAC Name4-[(5R,6S)-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=N[C@@H](c3ccc(Cl)cc3)[C@@H](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)/t20-,21+/m0/s1
InChIKeyUPEPITCUKHSMLK-LEWJYISDSA-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

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Related Compounds

1-{[(5r,6s)-5,6-Bis(4-Chlorophenyl)-6-Methyl-3-(Propan-2-Yl)-5,6-Dihydroimidazo[2,1-B][1,3]thiazol-2-Yl]carbonyl}-N,N-Dimethyl-L-Prolinamide
CID 44608665
(5r,6s)-2-[((2s,5r)-2-{[(3r)-4-Acetyl-3-Methylpiperazin-1-Yl]carbonyl}-5-Ethylpyrrolidin-1-Yl)carbonyl]-5,6-Bis(4-Chlorophenyl)-3-Isopropyl-6-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]thiazole
CID 58007243
(2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N,5-trimethylpyrrolidine-2-carboxamide
CID 24822178
[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 24967806
4-(1-{[(5R,6S)-5,6-Bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-L-prolyl)piperazin-2-one
CID 24968161
[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 24968162
(5R*,6S*)-5,6-Bis(4-chlorophenyl)-3-isopropyl-2-(morpholin-4-ylcarbonyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 24968163
4-{[(5R,6S)-5,6-Bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}piperazin-2-one
CID 24968164
[(2S,5R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone
CID 44596000
(5R,6S)-2-({(2S)-2-[(4-Acetylpiperazine-1-yl)carbonyl]pyrrolidin-1-yl}carbonyl)-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 44608832
(5R,6S)-5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58006829
4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
CID 58006857

Frequently Asked Questions

What is the IUPAC name of 4-[(5R,6S)-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-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one (CID 71453053) is 4-[(5R,6S)-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-[(5R,6S)-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-[(5R,6S)-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=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.
What is the InChIKey of 4-[(5R,6S)-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-LEWJYISDSA-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)/t20-,21+/m0/s1.
What are the key properties of 4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
4-[(5R,6S)-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-[(5R,6S)-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 71453053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).