3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide

C21H16N4OS2 — CID 3395067

IUPAC3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESO=C(CCc1nc2ccccc2s1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C21H16N4OS2/c26-19(9-10-20-23-16-3-1-2-4-18(16)28-20)22-15-7-5-14(6-8-15)17-13-25-11-12-27-21(25)24-17/h1-8,11-13H,9-10H2,(H,22,26)
InChIKeyCQBLXUVYBAUHMN-UHFFFAOYSA-N
MW404.52 g/mol
LogP5.24
Rot. Bonds5

About 3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide

3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (PubChem CID 3395067) has the molecular formula C21H16N4OS2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
PubChem CID3395067
Molecular FormulaC21H16N4OS2
Molecular Weight404.52 g/mol
Exact Mass404.08
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESO=C(CCc1nc2ccccc2s1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C21H16N4OS2/c26-19(9-10-20-23-16-3-1-2-4-18(16)28-20)22-15-7-5-14(6-8-15)17-13-25-11-12-27-21(25)24-17/h1-8,11-13H,9-10H2,(H,22,26)
InChIKeyCQBLXUVYBAUHMN-UHFFFAOYSA-N
XLogP5.24
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 35607833
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 40722991
3-(1,3-benzothiazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110902223
3-(4-cyanophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 37039350
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
CID 25346335
3-(1,3-benzothiazol-2-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 17459361
3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 24641041
3-(1,3-benzothiazol-2-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7980639
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16593057
N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573518
2-(2,6-dichlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 4674024

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (CID 3395067) is 3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide is O=C(CCc1nc2ccccc2s1)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The InChIKey is CQBLXUVYBAUHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS2/c26-19(9-10-20-23-16-3-1-2-4-18(16)28-20)22-15-7-5-14(6-8-15)17-13-25-11-12-27-21(25)24-17/h1-8,11-13H,9-10H2,(H,22,26).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide has a molecular weight of 404.52 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide is sourced from PubChem (CID 3395067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).