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

C12H11NS — CID 163583215

IUPAC5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
SMILESCc1cccc(/C=C/c2cncs2)c1
InChIInChI=1S/C12H11NS/c1-10-3-2-4-11(7-10)5-6-12-8-13-9-14-12/h2-9H,1H3/b6-5+
InChIKeyWKZORXBCZGXPNY-AATRIKPKSA-N
MW201.29 g/mol
LogP3.62
Rot. Bonds2

About 5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole

5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole (PubChem CID 163583215) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
PubChem CID163583215
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
SMILESCc1cccc(/C=C/c2cncs2)c1
InChIInChI=1S/C12H11NS/c1-10-3-2-4-11(7-10)5-6-12-8-13-9-14-12/h2-9H,1H3/b6-5+
InChIKeyWKZORXBCZGXPNY-AATRIKPKSA-N
XLogP3.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
4-(4-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 4204561
4-(4-methylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 6036018
1-[(Z)-2-(3-methylphenyl)ethenyl]imidazole
CID 102132899
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
(Z)-2-(3-methylphenyl)ethenamine
CID 142266989
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
CID 5463079
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole?
The IUPAC name of 5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole (CID 163583215) is 5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole?
The canonical SMILES for 5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole is Cc1cccc(/C=C/c2cncs2)c1.
What is the InChIKey of 5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole?
The InChIKey is WKZORXBCZGXPNY-AATRIKPKSA-N. The full InChI is InChI=1S/C12H11NS/c1-10-3-2-4-11(7-10)5-6-12-8-13-9-14-12/h2-9H,1H3/b6-5+.
What are the key properties of 5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole?
5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole has a molecular weight of 201.29 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 163583215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).