4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole

C21H21NO3S — CID 6213878

IUPAC4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
SMILESCOc1cc(/C=C/c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC
InChIInChI=1S/C21H21NO3S/c1-14-5-8-16(9-6-14)17-13-26-20(22-17)10-7-15-11-18(23-2)21(25-4)19(12-15)24-3/h5-13H,1-4H3/b10-7+
InChIKeySGHKHOZSZWMZSL-JXMROGBWSA-N
MW367.47 g/mol
LogP5.31
Rot. Bonds6

About 4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole

4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole (PubChem CID 6213878) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
PubChem CID6213878
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
SMILESCOc1cc(/C=C/c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC
InChIInChI=1S/C21H21NO3S/c1-14-5-8-16(9-6-14)17-13-26-20(22-17)10-7-15-11-18(23-2)21(25-4)19(12-15)24-3/h5-13H,1-4H3/b10-7+
InChIKeySGHKHOZSZWMZSL-JXMROGBWSA-N
XLogP5.31
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 3429655
2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 7967461
2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 4690778
4-(3,4-dimethoxyphenyl)-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
CID 7968999
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 8865155
6-methyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzothiazole
CID 162679686
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole
CID 4620919
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole (CID 6213878) is 4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole is COc1cc(/C=C/c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC.
What is the InChIKey of 4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole?
The InChIKey is SGHKHOZSZWMZSL-JXMROGBWSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-14-5-8-16(9-6-14)17-13-26-20(22-17)10-7-15-11-18(23-2)21(25-4)19(12-15)24-3/h5-13H,1-4H3/b10-7+.
What are the key properties of 4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole?
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole has a molecular weight of 367.47 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 6213878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).