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

C21H18BrN3OS — CID 30939364

IUPACN-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2csc3nc(-c4ccccc4)cn23)ccc1Br
InChIInChI=1S/C21H18BrN3OS/c1-14-11-16(7-9-18(14)22)23-20(26)10-8-17-13-27-21-24-19(12-25(17)21)15-5-3-2-4-6-15/h2-7,9,11-13H,8,10H2,1H3,(H,23,26)
InChIKeyCGRMUWRVRMWPFI-UHFFFAOYSA-N
MW440.37 g/mol
LogP5.71
Rot. Bonds5

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

N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide (PubChem CID 30939364) has the molecular formula C21H18BrN3OS and a molecular weight of 440.37 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
PubChem CID30939364
Molecular FormulaC21H18BrN3OS
Molecular Weight440.37 g/mol
Exact Mass439.04
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2csc3nc(-c4ccccc4)cn23)ccc1Br
InChIInChI=1S/C21H18BrN3OS/c1-14-11-16(7-9-18(14)22)23-20(26)10-8-17-13-27-21-24-19(12-25(17)21)15-5-3-2-4-6-15/h2-7,9,11-13H,8,10H2,1H3,(H,23,26)
InChIKeyCGRMUWRVRMWPFI-UHFFFAOYSA-N
XLogP5.71
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.37
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide
CID 30939826
N-naphthalen-1-yl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939336
butyl 4-[3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanoylamino]benzoate
CID 30939331
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
N-(3-methylbutyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939257
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide
CID 30939832
3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide
CID 30939255
N-[4-(dimethylamino)phenyl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 27377127
N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940218
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939215
N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 27377015

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide (CID 30939364) is N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide is Cc1cc(NC(=O)CCc2csc3nc(-c4ccccc4)cn23)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
The InChIKey is CGRMUWRVRMWPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3OS/c1-14-11-16(7-9-18(14)22)23-20(26)10-8-17-13-27-21-24-19(12-25(17)21)15-5-3-2-4-6-15/h2-7,9,11-13H,8,10H2,1H3,(H,23,26).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide has a molecular weight of 440.37 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide is sourced from PubChem (CID 30939364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).