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

C26H27ClN4O2S — CID 42803311

IUPAC1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCc1cn2c(CN3CCN(C(=O)COCc4ccccc4)CC3)c(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C26H27ClN4O2S/c1-19-15-31-23(25(28-26(31)34-19)21-7-9-22(27)10-8-21)16-29-11-13-30(14-12-29)24(32)18-33-17-20-5-3-2-4-6-20/h2-10,15H,11-14,16-18H2,1H3
InChIKeyIRWXWOSTWPPGKO-UHFFFAOYSA-N
MW495.05 g/mol
LogP4.89
Rot. Bonds7

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

1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 42803311) has the molecular formula C26H27ClN4O2S and a molecular weight of 495.05 g/mol. Its IUPAC name is 1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID42803311
Molecular FormulaC26H27ClN4O2S
Molecular Weight495.05 g/mol
Exact Mass494.15
IUPAC Name1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCc1cn2c(CN3CCN(C(=O)COCc4ccccc4)CC3)c(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C26H27ClN4O2S/c1-19-15-31-23(25(28-26(31)34-19)21-7-9-22(27)10-8-21)16-29-11-13-30(14-12-29)24(32)18-33-17-20-5-3-2-4-6-20/h2-10,15H,11-14,16-18H2,1H3
InChIKeyIRWXWOSTWPPGKO-UHFFFAOYSA-N
XLogP4.89
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.05
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone (CID 42803311) is 1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone is Cc1cn2c(CN3CCN(C(=O)COCc4ccccc4)CC3)c(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is IRWXWOSTWPPGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2S/c1-19-15-31-23(25(28-26(31)34-19)21-7-9-22(27)10-8-21)16-29-11-13-30(14-12-29)24(32)18-33-17-20-5-3-2-4-6-20/h2-10,15H,11-14,16-18H2,1H3.
What are the key properties of 1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 495.05 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 42803311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).