2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C27H25N3O2S — CID 22523820

IUPAC2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCC(C)c4ccccc4)ccc23)cc1
InChIInChI=1S/C27H25N3O2S/c1-3-32-22-12-9-20(10-13-22)23-17-30-24-14-11-21(15-25(24)33-27(30)29-23)26(31)28-16-18(2)19-7-5-4-6-8-19/h4-15,17-18H,3,16H2,1-2H3,(H,28,31)
InChIKeyZRHMTMYDGNDUAI-UHFFFAOYSA-N
MW455.58 g/mol
LogP6.15
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 22523820) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID22523820
Molecular FormulaC27H25N3O2S
Molecular Weight455.58 g/mol
Exact Mass455.17
IUPAC Name2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCC(C)c4ccccc4)ccc23)cc1
InChIInChI=1S/C27H25N3O2S/c1-3-32-22-12-9-20(10-13-22)23-17-30-24-14-11-21(15-25(24)33-27(30)29-23)26(31)28-16-18(2)19-7-5-4-6-8-19/h4-15,17-18H,3,16H2,1-2H3,(H,28,31)
InChIKeyZRHMTMYDGNDUAI-UHFFFAOYSA-N
XLogP6.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523809
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523560
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523573
N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523651
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523757
N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523576
N-[(4-hydroxycyclohexyl)methyl]-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 167163411
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523558
2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523670
N-[(1R)-1-cyclopropylethyl]-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 167163435

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 22523820) is 2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is CCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCC(C)c4ccccc4)ccc23)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is ZRHMTMYDGNDUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2S/c1-3-32-22-12-9-20(10-13-22)23-17-30-24-14-11-21(15-25(24)33-27(30)29-23)26(31)28-16-18(2)19-7-5-4-6-8-19/h4-15,17-18H,3,16H2,1-2H3,(H,28,31).
What are the key properties of 2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 22523820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).