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

C10H10N2O2S — CID 57374630

IUPAC3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
SMILESCc1cn2c(C=CC(=O)O)c(C)nc2s1
InChIInChI=1S/C10H10N2O2S/c1-6-5-12-8(3-4-9(13)14)7(2)11-10(12)15-6/h3-5H,1-2H3,(H,13,14)
InChIKeyURVNGDQIJADOOF-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.11
Rot. Bonds2

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

3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid (PubChem CID 57374630) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
PubChem CID57374630
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
SMILESCc1cn2c(C=CC(=O)O)c(C)nc2s1
InChIInChI=1S/C10H10N2O2S/c1-6-5-12-8(3-4-9(13)14)7(2)11-10(12)15-6/h3-5H,1-2H3,(H,13,14)
InChIKeyURVNGDQIJADOOF-UHFFFAOYSA-N
XLogP2.11
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The IUPAC name of 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid (CID 57374630) is 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The canonical SMILES for 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid is Cc1cn2c(C=CC(=O)O)c(C)nc2s1.
What is the InChIKey of 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The InChIKey is URVNGDQIJADOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-6-5-12-8(3-4-9(13)14)7(2)11-10(12)15-6/h3-5H,1-2H3,(H,13,14).
What are the key properties of 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid has a molecular weight of 222.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid is sourced from PubChem (CID 57374630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).