methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate

C20H17NO3S — CID 27128867

IUPACmethyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C/c2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C20H17NO3S/c1-23-17-10-8-15(9-11-17)18-13-25-19(21-18)12-5-14-3-6-16(7-4-14)20(22)24-2/h3-13H,1-2H3/b12-5+
InChIKeyMIBPRVDTUJTKLN-LFYBBSHMSA-N
MW351.43 g/mol
LogP4.78
Rot. Bonds5

About methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate

methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate (PubChem CID 27128867) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
PubChem CID27128867
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Namemethyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
SMILESCOC(=O)c1ccc(/C=C/c2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C20H17NO3S/c1-23-17-10-8-15(9-11-17)18-13-25-19(21-18)12-5-14-3-6-16(7-4-14)20(22)24-2/h3-13H,1-2H3/b12-5+
InChIKeyMIBPRVDTUJTKLN-LFYBBSHMSA-N
XLogP4.78
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 3429655
N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline
CID 143246980
2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate
CID 7812148
methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
3-(4-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2790166
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
(Z)-3-(4-bromophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 87722892
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
CID 11129341
[4-[[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3867217
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate?
The IUPAC name of methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate (CID 27128867) is methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate?
The canonical SMILES for methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate is COC(=O)c1ccc(/C=C/c2nc(-c3ccc(OC)cc3)cs2)cc1.
What is the InChIKey of methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate?
The InChIKey is MIBPRVDTUJTKLN-LFYBBSHMSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-23-17-10-8-15(9-11-17)18-13-25-19(21-18)12-5-14-3-6-16(7-4-14)20(22)24-2/h3-13H,1-2H3/b12-5+.
What are the key properties of methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate?
methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate has a molecular weight of 351.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate is sourced from PubChem (CID 27128867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).