5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate

C19H14NO4S- — CID 54717115

IUPAC5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3)c(C(=O)O)s2)cc1[O-]
InChIInChI=1S/C19H15NO4S/c1-24-15-9-7-12(11-14(15)21)8-10-16-20-17(18(25-16)19(22)23)13-5-3-2-4-6-13/h2-11,21H,1H3,(H,22,23)/p-1/b10-8+
InChIKeyMYYDPPNAJRQQNQ-CSKARUKUSA-M
MW352.39 g/mol
LogP3.76
Rot. Bonds5

About 5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate

5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate (PubChem CID 54717115) has the molecular formula C19H14NO4S- and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate.

Molecular Properties

Compound Name5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate
PubChem CID54717115
Molecular FormulaC19H14NO4S-
Molecular Weight352.39 g/mol
Exact Mass352.06
IUPAC Name5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3)c(C(=O)O)s2)cc1[O-]
InChIInChI=1S/C19H15NO4S/c1-24-15-9-7-12(11-14(15)21)8-10-16-20-17(18(25-16)19(22)23)13-5-3-2-4-6-13/h2-11,21H,1H3,(H,22,23)/p-1/b10-8+
InChIKeyMYYDPPNAJRQQNQ-CSKARUKUSA-M
XLogP3.76
TPSA82.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(E)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 135812088
4-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2,6-dimethylphenolate
CID 135812081
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 6450669
5-[(E)-2-carboxyethenyl]-2-methoxyphenolate
CID 54706233
2-[4-(4-bromophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
CID 6450677
2-[4-[(Z)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetic acid
CID 92945317
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7669441
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 26196712
methyl 2-[(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110533491

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate?
The IUPAC name of 5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate (CID 54717115) is 5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate.
What is the SMILES notation for 5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate?
The canonical SMILES for 5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate is COc1ccc(/C=C/c2nc(-c3ccccc3)c(C(=O)O)s2)cc1[O-].
What is the InChIKey of 5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate?
The InChIKey is MYYDPPNAJRQQNQ-CSKARUKUSA-M. The full InChI is InChI=1S/C19H15NO4S/c1-24-15-9-7-12(11-14(15)21)8-10-16-20-17(18(25-16)19(22)23)13-5-3-2-4-6-13/h2-11,21H,1H3,(H,22,23)/p-1/b10-8+.
What are the key properties of 5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate?
5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate has a molecular weight of 352.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(5-carboxy-4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenolate is sourced from PubChem (CID 54717115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).