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

C21H18ClN3O2S — CID 30939846

IUPAC3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)c1
InChIInChI=1S/C21H18ClN3O2S/c1-27-18-4-2-3-16(11-18)23-20(26)10-9-17-13-28-21-24-19(12-25(17)21)14-5-7-15(22)8-6-14/h2-8,11-13H,9-10H2,1H3,(H,23,26)
InChIKeyBYAMDAMITLGRPF-UHFFFAOYSA-N
MW411.91 g/mol
LogP5.30
Rot. Bonds6

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

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 30939846) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID30939846
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)c1
InChIInChI=1S/C21H18ClN3O2S/c1-27-18-4-2-3-16(11-18)23-20(26)10-9-17-13-28-21-24-19(12-25(17)21)14-5-7-15(22)8-6-14/h2-8,11-13H,9-10H2,1H3,(H,23,26)
InChIKeyBYAMDAMITLGRPF-UHFFFAOYSA-N
XLogP5.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.91
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylphenyl)propanamide
CID 30939826
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide
CID 30939832
N-(3-chloro-2-methylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30939637
2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53122639
N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 27377127
N-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229
methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate
CID 30939611
N-(3-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063293
3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 30939481
N-(3,4-dimethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044612
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)propanamide
CID 27377169

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide (CID 30939846) is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(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-methoxyphenyl)propanamide?
The InChIKey is BYAMDAMITLGRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c1-27-18-4-2-3-16(11-18)23-20(26)10-9-17-13-28-21-24-19(12-25(17)21)14-5-7-15(22)8-6-14/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-methoxyphenyl)propanamide?
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 411.91 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-methoxyphenyl)propanamide is sourced from PubChem (CID 30939846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).