2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole

C12H11NOS — CID 14090876

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole
SMILESCOc1ccc(/C=C/c2nccs2)cc1
InChIInChI=1S/C12H11NOS/c1-14-11-5-2-10(3-6-11)4-7-12-13-8-9-15-12/h2-9H,1H3/b7-4+
InChIKeySADYIDNQRINMAV-QPJJXVBHSA-N
MW217.29 g/mol
LogP3.32
Rot. Bonds3

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole

2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole (PubChem CID 14090876) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole
PubChem CID14090876
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole
SMILESCOc1ccc(/C=C/c2nccs2)cc1
InChIInChI=1S/C12H11NOS/c1-14-11-5-2-10(3-6-11)4-7-12-13-8-9-15-12/h2-9H,1H3/b7-4+
InChIKeySADYIDNQRINMAV-QPJJXVBHSA-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-[1-(4-methoxyphenyl)pyrazol-4-yl]ethenyl]-1,3-thiazole
CID 167879805
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole
CID 67827143
2-[(E)-2-(3-methoxyquinoxalin-2-yl)ethenyl]-1,3-thiazole
CID 70309269
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
2-[(E)-2-[6-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2-pyridinyl]ethenyl]-1,3-thiazole
CID 5471827
N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
(E)-3-(4-methoxyphenyl)-2-(1,3-thiazol-2-yl)prop-2-enenitrile
CID 39346516
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole (CID 14090876) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole is COc1ccc(/C=C/c2nccs2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole?
The InChIKey is SADYIDNQRINMAV-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H11NOS/c1-14-11-5-2-10(3-6-11)4-7-12-13-8-9-15-12/h2-9H,1H3/b7-4+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazole?
2-[(E)-2-(4-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-(4-methoxyphenyl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 14090876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).