N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide

C23H17N3O2S — CID 1480560

IUPACN-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)sc3ccccc34)c2)cc1
InChIInChI=1S/C23H17N3O2S/c1-28-18-11-9-15(10-12-18)22(27)24-17-6-4-5-16(13-17)19-14-26-20-7-2-3-8-21(20)29-23(26)25-19/h2-14H,1H3,(H,24,27)
InChIKeyDEMXIQFCBMCCNA-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.48
Rot. Bonds4

About N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide

N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide (PubChem CID 1480560) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide
PubChem CID1480560
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC NameN-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)sc3ccccc34)c2)cc1
InChIInChI=1S/C23H17N3O2S/c1-28-18-11-9-15(10-12-18)22(27)24-17-6-4-5-16(13-17)19-14-26-20-7-2-3-8-21(20)29-23(26)25-19/h2-14H,1H3,(H,24,27)
InChIKeyDEMXIQFCBMCCNA-UHFFFAOYSA-N
XLogP5.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylanilino)-3-oxopropanoic acid
CID 139878182
N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523651
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 43936475
2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523670
N-(3-methoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271413
[2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 22523647
6-(3-methoxyphenyl)-N-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270822
6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209639
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067629
N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide
CID 46090574
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide (CID 1480560) is N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3cn4c(n3)sc3ccccc34)c2)cc1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide?
The InChIKey is DEMXIQFCBMCCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c1-28-18-11-9-15(10-12-18)22(27)24-17-6-4-5-16(13-17)19-14-26-20-7-2-3-8-21(20)29-23(26)25-19/h2-14H,1H3,(H,24,27).
What are the key properties of N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide?
N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide has a molecular weight of 399.48 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 1480560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).