4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid

C16H16N2O2S — CID 80655201

IUPAC4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
SMILESCc1cccc(-c2cn3c(CCCC(=O)O)csc3n2)c1
InChIInChI=1S/C16H16N2O2S/c1-11-4-2-5-12(8-11)14-9-18-13(6-3-7-15(19)20)10-21-16(18)17-14/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,20)
InChIKeyBMSYIAWDTIRTEI-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.78
Rot. Bonds5

About 4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid

4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid (PubChem CID 80655201) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
PubChem CID80655201
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
SMILESCc1cccc(-c2cn3c(CCCC(=O)O)csc3n2)c1
InChIInChI=1S/C16H16N2O2S/c1-11-4-2-5-12(8-11)14-9-18-13(6-3-7-15(19)20)10-21-16(18)17-14/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,20)
InChIKeyBMSYIAWDTIRTEI-UHFFFAOYSA-N
XLogP3.78
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80655203
4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80661712
N-[2-(3-methylphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 53036810
N-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide
CID 30939826
4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 107508269
N-naphthalen-1-yl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939336
N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939364
ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 43464947
N-(3-methylbutyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939257
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 121038802
N,N-diethyl-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509499

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The IUPAC name of 4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid (CID 80655201) is 4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid.
What is the SMILES notation for 4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The canonical SMILES for 4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid is Cc1cccc(-c2cn3c(CCCC(=O)O)csc3n2)c1.
What is the InChIKey of 4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The InChIKey is BMSYIAWDTIRTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-4-2-5-12(8-11)14-9-18-13(6-3-7-15(19)20)10-21-16(18)17-14/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,20).
What are the key properties of 4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid has a molecular weight of 300.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid is sourced from PubChem (CID 80655201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).