(2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone

C25H25ClN4O2S — CID 42811263

IUPAC(2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2nc3sc(C)cn3c2CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C25H25ClN4O2S/c1-17-15-30-22(23(27-25(30)33-17)18-7-9-19(32-2)10-8-18)16-28-11-13-29(14-12-28)24(31)20-5-3-4-6-21(20)26/h3-10,15H,11-14,16H2,1-2H3
InChIKeyHHZIOMFYPPGTSQ-UHFFFAOYSA-N
MW481.02 g/mol
LogP4.99
Rot. Bonds5

About (2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone

(2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 42811263) has the molecular formula C25H25ClN4O2S and a molecular weight of 481.02 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID42811263
Molecular FormulaC25H25ClN4O2S
Molecular Weight481.02 g/mol
Exact Mass480.14
IUPAC Name(2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2nc3sc(C)cn3c2CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C25H25ClN4O2S/c1-17-15-30-22(23(27-25(30)33-17)18-7-9-19(32-2)10-8-18)16-28-11-13-29(14-12-28)24(31)20-5-3-4-6-21(20)26/h3-10,15H,11-14,16H2,1-2H3
InChIKeyHHZIOMFYPPGTSQ-UHFFFAOYSA-N
XLogP4.99
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.02
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 83285872
(2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83277085
1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 42803311
(2-chlorophenyl)-[4-[(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 42811274
(2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 42811271
N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
CID 42811293
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682
N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
CID 42803352
(2-chlorophenyl)-[4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 24585821
(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24674451
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152
[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 91635942

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 42811263) is (2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone is COc1ccc(-c2nc3sc(C)cn3c2CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of (2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is HHZIOMFYPPGTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2S/c1-17-15-30-22(23(27-25(30)33-17)18-7-9-19(32-2)10-8-18)16-28-11-13-29(14-12-28)24(31)20-5-3-4-6-21(20)26/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 481.02 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42811263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).