2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate

C20H16NO3S- — CID 7812148

IUPAC2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate
SMILESCc1ccc(-c2csc(/C=C/c3ccc(OCC(=O)[O-])cc3)n2)cc1
InChIInChI=1S/C20H17NO3S/c1-14-2-7-16(8-3-14)18-13-25-19(21-18)11-6-15-4-9-17(10-5-15)24-12-20(22)23/h2-11,13H,12H2,1H3,(H,22,23)/p-1/b11-6+
InChIKeyUPOKQSAABCMMBU-IZZDOVSWSA-M
MW350.42 g/mol
LogP3.42
Rot. Bonds6

About 2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate

2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate (PubChem CID 7812148) has the molecular formula C20H16NO3S- and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate
PubChem CID7812148
Molecular FormulaC20H16NO3S-
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate
SMILESCc1ccc(-c2csc(/C=C/c3ccc(OCC(=O)[O-])cc3)n2)cc1
InChIInChI=1S/C20H17NO3S/c1-14-2-7-16(8-3-14)18-13-25-19(21-18)11-6-15-4-9-17(10-5-15)24-12-20(22)23/h2-11,13H,12H2,1H3,(H,22,23)/p-1/b11-6+
InChIKeyUPOKQSAABCMMBU-IZZDOVSWSA-M
XLogP3.42
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
CID 27128867
lithium 2-(4-methylphenoxy)acetate
CID 19205665
N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline
CID 143246980
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 3429655
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
4-(4-nitrophenyl)-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1,3-thiazole
CID 6265947
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
3-(4-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2790166
4-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenol
CID 135409428

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate (CID 7812148) is 2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate is Cc1ccc(-c2csc(/C=C/c3ccc(OCC(=O)[O-])cc3)n2)cc1.
What is the InChIKey of 2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate?
The InChIKey is UPOKQSAABCMMBU-IZZDOVSWSA-M. The full InChI is InChI=1S/C20H17NO3S/c1-14-2-7-16(8-3-14)18-13-25-19(21-18)11-6-15-4-9-17(10-5-15)24-12-20(22)23/h2-11,13H,12H2,1H3,(H,22,23)/p-1/b11-6+.
What are the key properties of 2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate?
2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate has a molecular weight of 350.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate is sourced from PubChem (CID 7812148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).