4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide

C26H31N5O2S — CID 42811623

IUPAC4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)c(CN3CCN(C(=O)NC(C)C)CC3)n12
InChIInChI=1S/C26H31N5O2S/c1-17(2)27-25(32)30-13-11-29(12-14-30)16-22-24(19-7-5-18(3)6-8-19)28-26-31(22)21-10-9-20(33-4)15-23(21)34-26/h5-10,15,17H,11-14,16H2,1-4H3,(H,27,32)
InChIKeyIRXMSCATUUXCFA-UHFFFAOYSA-N
MW477.63 g/mol
LogP4.77
Rot. Bonds5

About 4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 42811623) has the molecular formula C26H31N5O2S and a molecular weight of 477.63 g/mol. Its IUPAC name is 4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID42811623
Molecular FormulaC26H31N5O2S
Molecular Weight477.63 g/mol
Exact Mass477.22
IUPAC Name4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)c(CN3CCN(C(=O)NC(C)C)CC3)n12
InChIInChI=1S/C26H31N5O2S/c1-17(2)27-25(32)30-13-11-29(12-14-30)16-22-24(19-7-5-18(3)6-8-19)28-26-31(22)21-10-9-20(33-4)15-23(21)34-26/h5-10,15,17H,11-14,16H2,1-4H3,(H,27,32)
InChIKeyIRXMSCATUUXCFA-UHFFFAOYSA-N
XLogP4.77
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone
CID 42811179
N-tert-butyl-4-[(6-chloro-2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]piperazine-1-carboxamide
CID 42811291
1-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperidine-4-carboxylic acid
CID 2759641
N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
CID 42811293
N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
CID 42803352
4-[1-(tert-butylamino)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
CID 53205382
2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 19209609
(2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 42811263
3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227751
cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83285824
1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one
CID 42803276
2-N-[(3-methoxyphenyl)methyl]-6-N-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide
CID 97442474

Frequently Asked Questions

What is the IUPAC name of 4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 42811623) is 4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide is COc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)c(CN3CCN(C(=O)NC(C)C)CC3)n12.
What is the InChIKey of 4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is IRXMSCATUUXCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2S/c1-17(2)27-25(32)30-13-11-29(12-14-30)16-22-24(19-7-5-18(3)6-8-19)28-26-31(22)21-10-9-20(33-4)15-23(21)34-26/h5-10,15,17H,11-14,16H2,1-4H3,(H,27,32).
What are the key properties of 4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 477.63 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 42811623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).