2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C27H25N3O3S — CID 22523670

IUPAC2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCOc1cccc(-c2cn3c(n2)sc2cc(C(=O)NCc4ccc(OC(C)C)cc4)ccc23)c1
InChIInChI=1S/C27H25N3O3S/c1-17(2)33-21-10-7-18(8-11-21)15-28-26(31)20-9-12-24-25(14-20)34-27-29-23(16-30(24)27)19-5-4-6-22(13-19)32-3/h4-14,16-17H,15H2,1-3H3,(H,28,31)
InChIKeyWQTXYRYTIZXHGP-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.94
Rot. Bonds7

About 2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 22523670) has the molecular formula C27H25N3O3S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID22523670
Molecular FormulaC27H25N3O3S
Molecular Weight471.58 g/mol
Exact Mass471.16
IUPAC Name2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCOc1cccc(-c2cn3c(n2)sc2cc(C(=O)NCc4ccc(OC(C)C)cc4)ccc23)c1
InChIInChI=1S/C27H25N3O3S/c1-17(2)33-21-10-7-18(8-11-21)15-28-26(31)20-9-12-24-25(14-20)34-27-29-23(16-30(24)27)19-5-4-6-22(13-19)32-3/h4-14,16-17H,15H2,1-3H3,(H,28,31)
InChIKeyWQTXYRYTIZXHGP-UHFFFAOYSA-N
XLogP5.94
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523651
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523573
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523560
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523558
[2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 22523647
N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide
CID 1480560
2-phenyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523691
2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523820
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164089
6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209639
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 22523670) is 2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is COc1cccc(-c2cn3c(n2)sc2cc(C(=O)NCc4ccc(OC(C)C)cc4)ccc23)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is WQTXYRYTIZXHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S/c1-17(2)33-21-10-7-18(8-11-21)15-28-26(31)20-9-12-24-25(14-20)34-27-29-23(16-30(24)27)19-5-4-6-22(13-19)32-3/h4-14,16-17H,15H2,1-3H3,(H,28,31).
What are the key properties of 2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 22523670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).