2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole

C12H11NOS — CID 67827143

IUPAC2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole
SMILESCOc1ccccc1/C=C/c1nccs1
InChIInChI=1S/C12H11NOS/c1-14-11-5-3-2-4-10(11)6-7-12-13-8-9-15-12/h2-9H,1H3/b7-6+
InChIKeyHPAOEMZIWPDHHU-VOTSOKGWSA-N
MW217.29 g/mol
LogP3.32
Rot. Bonds3

About 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole

2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole (PubChem CID 67827143) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole
PubChem CID67827143
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole
SMILESCOc1ccccc1/C=C/c1nccs1
InChIInChI=1S/C12H11NOS/c1-14-11-5-3-2-4-10(11)6-7-12-13-8-9-15-12/h2-9H,1H3/b7-6+
InChIKeyHPAOEMZIWPDHHU-VOTSOKGWSA-N
XLogP3.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 127035001
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole
CID 14090876
2-methyl-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]benzaldehyde
CID 90291798
2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole
CID 70309269
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
2-[2-(2-methoxyphenyl)ethenyl]-3,5,6-trimethylpyrazine
CID 141144702
3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 53315540
(4Z)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 9313076
1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
CID 10375267
1-[(1E,3E)-4-bromobuta-1,3-dienyl]-2-methoxybenzene
CID 177481549
3-tert-butyl-6-[2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3161198
3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1182198

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole?
The IUPAC name of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole (CID 67827143) is 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole is COc1ccccc1/C=C/c1nccs1.
What is the InChIKey of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole?
The InChIKey is HPAOEMZIWPDHHU-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H11NOS/c1-14-11-5-3-2-4-10(11)6-7-12-13-8-9-15-12/h2-9H,1H3/b7-6+.
What are the key properties of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole?
2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole has a molecular weight of 217.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 67827143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).