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

C21H18ClN3OS — CID 30939826

IUPAC3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)c1
InChIInChI=1S/C21H18ClN3OS/c1-14-3-2-4-17(11-14)23-20(26)10-9-18-13-27-21-24-19(12-25(18)21)15-5-7-16(22)8-6-15/h2-8,11-13H,9-10H2,1H3,(H,23,26)
InChIKeyLNVJDJPALGCIJD-UHFFFAOYSA-N
MW395.92 g/mol
LogP5.60
Rot. Bonds5

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

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide (PubChem CID 30939826) has the molecular formula C21H18ClN3OS and a molecular weight of 395.92 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide
PubChem CID30939826
Molecular FormulaC21H18ClN3OS
Molecular Weight395.92 g/mol
Exact Mass395.09
IUPAC Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)c1
InChIInChI=1S/C21H18ClN3OS/c1-14-3-2-4-17(11-14)23-20(26)10-9-18-13-27-21-24-19(12-25(18)21)15-5-7-16(22)8-6-15/h2-8,11-13H,9-10H2,1H3,(H,23,26)
InChIKeyLNVJDJPALGCIJD-UHFFFAOYSA-N
XLogP5.60
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.92
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30939931
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide
CID 30939846
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide
CID 30939832
N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939364
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)propanamide
CID 27377169
N-(3-chloro-2-methylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30939637
N-(4-acetamidophenyl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063269
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-pyridin-3-ylacetamide
CID 121038458
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 27377162
N-naphthalen-1-yl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939336
4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 7522346
N-(2,4-dichlorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038733

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide (CID 30939826) is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)c1.
What is the InChIKey of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is LNVJDJPALGCIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3OS/c1-14-3-2-4-17(11-14)23-20(26)10-9-18-13-27-21-24-19(12-25(18)21)15-5-7-16(22)8-6-15/h2-8,11-13H,9-10H2,1H3,(H,23,26).
What are the key properties of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide?
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 395.92 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 30939826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).