4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole

C16H13NS2 — CID 7967432

IUPAC4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole
SMILESCc1ccc(-c2csc(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C16H13NS2/c1-12-4-6-13(7-5-12)15-11-19-16(17-15)9-8-14-3-2-10-18-14/h2-11H,1H3/b9-8+
InChIKeyTXHMQCAIBSLYCE-CMDGGOBGSA-N
MW283.42 g/mol
LogP5.35
Rot. Bonds3

About 4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole

4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole (PubChem CID 7967432) has the molecular formula C16H13NS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole
PubChem CID7967432
Molecular FormulaC16H13NS2
Molecular Weight283.42 g/mol
Exact Mass283.05
IUPAC Name4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole
SMILESCc1ccc(-c2csc(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C16H13NS2/c1-12-4-6-13(7-5-12)15-11-19-16(17-15)9-8-14-3-2-10-18-14/h2-11H,1H3/b9-8+
InChIKeyTXHMQCAIBSLYCE-CMDGGOBGSA-N
XLogP5.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole
CID 4620919
4-(4-methylphenyl)-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,3-thiazole
CID 3999848
4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 6308176
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
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 7967461
4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole
CID 9118237
2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate
CID 7812148

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole (CID 7967432) is 4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole is Cc1ccc(-c2csc(/C=C/c3cccs3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole?
The InChIKey is TXHMQCAIBSLYCE-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H13NS2/c1-12-4-6-13(7-5-12)15-11-19-16(17-15)9-8-14-3-2-10-18-14/h2-11H,1H3/b9-8+.
What are the key properties of 4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole?
4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole has a molecular weight of 283.42 g/mol, XLogP of 5.35, 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-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole is sourced from PubChem (CID 7967432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).