3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid

C15H12N2O2S — CID 2760659

IUPAC3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
SMILESCc1ccc(-c2nc3sccn3c2C=CC(=O)O)cc1
InChIInChI=1S/C15H12N2O2S/c1-10-2-4-11(5-3-10)14-12(6-7-13(18)19)17-8-9-20-15(17)16-14/h2-9H,1H3,(H,18,19)
InChIKeyHLGABMKAPYIIQO-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.47
Rot. Bonds3

About 3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid

3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid (PubChem CID 2760659) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
PubChem CID2760659
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
SMILESCc1ccc(-c2nc3sccn3c2C=CC(=O)O)cc1
InChIInChI=1S/C15H12N2O2S/c1-10-2-4-11(5-3-10)14-12(6-7-13(18)19)17-8-9-20-15(17)16-14/h2-9H,1H3,(H,18,19)
InChIKeyHLGABMKAPYIIQO-UHFFFAOYSA-N
XLogP3.47
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
(E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 163359892
5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3453657
2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione
CID 3808004
3-[6-(3,4,5-trimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 61236656
(E)-1-(3,4-dimethylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 51353296
2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 45262277
3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 70896459
(E)-3-[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 43475804
(E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 7516245
(E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195853
(E)-3-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 16780343

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The IUPAC name of 3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid (CID 2760659) is 3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The canonical SMILES for 3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid is Cc1ccc(-c2nc3sccn3c2C=CC(=O)O)cc1.
What is the InChIKey of 3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The InChIKey is HLGABMKAPYIIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-2-4-11(5-3-10)14-12(6-7-13(18)19)17-8-9-20-15(17)16-14/h2-9H,1H3,(H,18,19).
What are the key properties of 3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid has a molecular weight of 284.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid is sourced from PubChem (CID 2760659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).