N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide

C21H27N5OS — CID 42811293

IUPACN-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2c(-c3ccc(C)cc3)nc3sc(C)cn23)CC1
InChIInChI=1S/C21H27N5OS/c1-4-22-20(27)25-11-9-24(10-12-25)14-18-19(17-7-5-15(2)6-8-17)23-21-26(18)13-16(3)28-21/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,27)
InChIKeyCGGGGAULTIUNNL-UHFFFAOYSA-N
MW397.55 g/mol
LogP3.53
Rot. Bonds4

About N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide

N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide (PubChem CID 42811293) has the molecular formula C21H27N5OS and a molecular weight of 397.55 g/mol. Its IUPAC name is N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
PubChem CID42811293
Molecular FormulaC21H27N5OS
Molecular Weight397.55 g/mol
Exact Mass397.19
IUPAC NameN-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2c(-c3ccc(C)cc3)nc3sc(C)cn23)CC1
InChIInChI=1S/C21H27N5OS/c1-4-22-20(27)25-11-9-24(10-12-25)14-18-19(17-7-5-15(2)6-8-17)23-21-26(18)13-16(3)28-21/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,27)
InChIKeyCGGGGAULTIUNNL-UHFFFAOYSA-N
XLogP3.53
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 83285872
(2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 42811263
1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 42803311
[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42811168
N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide
CID 78818674
4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42811623
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
N-(2,6-dimethylphenyl)-4-[[6-(3-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
CID 83286760
1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide
CID 86931065
1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281402
N-[(5-bromothiophen-2-yl)methyl]-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 112837877

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide (CID 42811293) is N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(Cc2c(-c3ccc(C)cc3)nc3sc(C)cn23)CC1.
What is the InChIKey of N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide?
The InChIKey is CGGGGAULTIUNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5OS/c1-4-22-20(27)25-11-9-24(10-12-25)14-18-19(17-7-5-15(2)6-8-17)23-21-26(18)13-16(3)28-21/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,27).
What are the key properties of N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide?
N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide has a molecular weight of 397.55 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 42811293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).