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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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).