4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole

C20H19NO2S — CID 58477911

IUPAC4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole
SMILESCOc1cc(/C=C\c2csc(-c3ccccc3)n2)cc(C)c1OC
InChIInChI=1S/C20H19NO2S/c1-14-11-15(12-18(22-2)19(14)23-3)9-10-17-13-24-20(21-17)16-7-5-4-6-8-16/h4-13H,1-3H3/b10-9-
InChIKeyTVMCMPMXGXOWJI-KTKRTIGZSA-N
MW337.44 g/mol
LogP5.31
Rot. Bonds5

About 4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole

4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole (PubChem CID 58477911) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole
PubChem CID58477911
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole
SMILESCOc1cc(/C=C\c2csc(-c3ccccc3)n2)cc(C)c1OC
InChIInChI=1S/C20H19NO2S/c1-14-11-15(12-18(22-2)19(14)23-3)9-10-17-13-24-20(21-17)16-7-5-4-6-8-16/h4-13H,1-3H3/b10-9-
InChIKeyTVMCMPMXGXOWJI-KTKRTIGZSA-N
XLogP5.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole
CID 58477864
ethyl (E)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate
CID 67526445
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enal
CID 101014013
2-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 19688317
(NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
CID 53364194
(E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 60568773
4-[2-(3,4-dimethylphenyl)ethenyl]-1,3-thiazol-2-amine
CID 77040042
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 2117534
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde
CID 116889414
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole (CID 58477911) is 4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole is COc1cc(/C=C\c2csc(-c3ccccc3)n2)cc(C)c1OC.
What is the InChIKey of 4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole?
The InChIKey is TVMCMPMXGXOWJI-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14-11-15(12-18(22-2)19(14)23-3)9-10-17-13-24-20(21-17)16-7-5-4-6-8-16/h4-13H,1-3H3/b10-9-.
What are the key properties of 4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole?
4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole has a molecular weight of 337.44 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(3,4-dimethoxy-5-methylphenyl)ethenyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 58477911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).