4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one

C25H26Cl2N4O2S — CID 70940811

IUPAC4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one
SMILESCCCC1=C(OCN2CCNC(=O)C2)N2C(=NC(c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)S1
InChIInChI=1S/C25H26Cl2N4O2S/c1-2-3-20-24(33-15-30-13-12-28-21(32)14-30)31-23(17-6-10-19(27)11-7-17)22(29-25(31)34-20)16-4-8-18(26)9-5-16/h4-11,22-23H,2-3,12-15H2,1H3,(H,28,32)
InChIKeyOGURGWKJUMEUHO-UHFFFAOYSA-N
MW517.48 g/mol
LogP5.57
Rot. Bonds7

About 4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one

4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one (PubChem CID 70940811) has the molecular formula C25H26Cl2N4O2S and a molecular weight of 517.48 g/mol. Its IUPAC name is 4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one
PubChem CID70940811
Molecular FormulaC25H26Cl2N4O2S
Molecular Weight517.48 g/mol
Exact Mass516.12
IUPAC Name4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one
SMILESCCCC1=C(OCN2CCNC(=O)C2)N2C(=NC(c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)S1
InChIInChI=1S/C25H26Cl2N4O2S/c1-2-3-20-24(33-15-30-13-12-28-21(32)14-30)31-23(17-6-10-19(27)11-7-17)22(29-25(31)34-20)16-4-8-18(26)9-5-16/h4-11,22-23H,2-3,12-15H2,1H3,(H,28,32)
InChIKeyOGURGWKJUMEUHO-UHFFFAOYSA-N
XLogP5.57
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.48
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5,6-bis(4-chlorophenyl)-3-ethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
CID 71472830
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
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-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methylsulfinylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 11854388
4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880931
4-[[(4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-(3-methylphenyl)-4,5-dihydroimidazol-1-yl]methyl]piperazin-2-one
CID 146587484
(2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide
CID 67518815
4-[2-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]acetyl]piperazin-2-one
CID 59792702
[(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
3-[4,5-bis(4-chlorophenyl)-1-(3-oxopiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 11853372
4-[4-(4-chlorophenyl)-1-(3-oxopiperazine-1-carbonyl)-5-(1,3-thiazol-2-yl)-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxybenzonitrile
CID 123398091
4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methyl-5-morpholin-4-ylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one;hydrochloride
CID 68871580

Frequently Asked Questions

What is the IUPAC name of 4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one?
The IUPAC name of 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) is 4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one.
What is the SMILES notation for 4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one?
The canonical SMILES for 4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one is CCCC1=C(OCN2CCNC(=O)C2)N2C(=NC(c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)S1.
What is the InChIKey of 4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one?
The InChIKey is OGURGWKJUMEUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O2S/c1-2-3-20-24(33-15-30-13-12-28-21(32)14-30)31-23(17-6-10-19(27)11-7-17)22(29-25(31)34-20)16-4-8-18(26)9-5-16/h4-11,22-23H,2-3,12-15H2,1H3,(H,28,32).
What are the key properties of 4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one?
4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one has a molecular weight of 517.48 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,6-bis(4-chlorophenyl)-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]oxymethyl]piperazin-2-one is sourced from PubChem (CID 70940811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).