4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole

C17H15NS2 — CID 3999848

IUPAC4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole
SMILESCc1ccc(-c2csc(C=Cc3sccc3C)n2)cc1
InChIInChI=1S/C17H15NS2/c1-12-3-5-14(6-4-12)15-11-20-17(18-15)8-7-16-13(2)9-10-19-16/h3-11H,1-2H3
InChIKeyJIEITPCOKPGQJC-UHFFFAOYSA-N
MW297.45 g/mol
LogP5.66
Rot. Bonds3

About 4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole

4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole (PubChem CID 3999848) has the molecular formula C17H15NS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole
PubChem CID3999848
Molecular FormulaC17H15NS2
Molecular Weight297.45 g/mol
Exact Mass297.06
IUPAC Name4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole
SMILESCc1ccc(-c2csc(C=Cc3sccc3C)n2)cc1
InChIInChI=1S/C17H15NS2/c1-12-3-5-14(6-4-12)15-11-20-17(18-15)8-7-16-13(2)9-10-19-16/h3-11H,1-2H3
InChIKeyJIEITPCOKPGQJC-UHFFFAOYSA-N
XLogP5.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole
CID 7967432
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
2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 4690778
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole
CID 9118237
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate
CID 7812148
2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 162721182
(Z)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enenitrile
CID 5339878
2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 7967461
4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
CID 3681008

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole (CID 3999848) is 4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole is Cc1ccc(-c2csc(C=Cc3sccc3C)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole?
The InChIKey is JIEITPCOKPGQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS2/c1-12-3-5-14(6-4-12)15-11-20-17(18-15)8-7-16-13(2)9-10-19-16/h3-11H,1-2H3.
What are the key properties of 4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole?
4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole has a molecular weight of 297.45 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 3999848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).