2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid

C10H7NO2S2 — CID 166178289

IUPAC2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(/C=C/c2ccsc2)n1
InChIInChI=1S/C10H7NO2S2/c12-10(13)8-6-15-9(11-8)2-1-7-3-4-14-5-7/h1-6H,(H,12,13)/b2-1+
InChIKeyJLNBZDFVHRAFJB-OWOJBTEDSA-N
MW237.31 g/mol
LogP3.07
Rot. Bonds3

About 2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid

2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 166178289) has the molecular formula C10H7NO2S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID166178289
Molecular FormulaC10H7NO2S2
Molecular Weight237.31 g/mol
Exact Mass236.99
IUPAC Name2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(/C=C/c2ccsc2)n1
InChIInChI=1S/C10H7NO2S2/c12-10(13)8-6-15-9(11-8)2-1-7-3-4-14-5-7/h1-6H,(H,12,13)/b2-1+
InChIKeyJLNBZDFVHRAFJB-OWOJBTEDSA-N
XLogP3.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-(1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-4-carboxylic acid
CID 167897593
2-[(E)-2-(1-methylbenzotriazol-5-yl)ethenyl]-1,3-thiazole-4-carboxylic acid
CID 167866848
2-[(E)-2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]ethenyl]-1,3-thiazole-4-carboxylic acid
CID 167968760
2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid
CID 6299494
(E)-2-oxo-4-thiophen-3-ylbut-3-enoic acid
CID 18436648
(E)-4-thiophen-3-ylbut-3-enoic acid
CID 23369401
2-[(Z)-3-(dimethylamino)-2-hydroxyprop-1-enyl]-1,3-thiazole-4-carboxylic acid
CID 135709714
[(E)-2-thiophen-3-ylethenyl]phosphonic acid
CID 42604712
2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid
CID 166293139
2-chloro-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 70024708
(Z)-1-phenyl-3-thiophen-3-ylprop-2-en-1-one
CID 54608846
[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate
CID 102529489

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid (CID 166178289) is 2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(/C=C/c2ccsc2)n1.
What is the InChIKey of 2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JLNBZDFVHRAFJB-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H7NO2S2/c12-10(13)8-6-15-9(11-8)2-1-7-3-4-14-5-7/h1-6H,(H,12,13)/b2-1+.
What are the key properties of 2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid?
2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 237.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 166178289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).