2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid

C19H16ClNO3S — CID 59786429

IUPAC2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(OCc2ccccc2Cl)c(Cc2nc(C(=O)O)cs2)c1
InChIInChI=1S/C19H16ClNO3S/c1-12-6-7-17(24-10-13-4-2-3-5-15(13)20)14(8-12)9-18-21-16(11-25-18)19(22)23/h2-8,11H,9-10H2,1H3,(H,22,23)
InChIKeyZKNRURQTASUDDQ-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.97
Rot. Bonds6

About 2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid

2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59786429) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID59786429
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(OCc2ccccc2Cl)c(Cc2nc(C(=O)O)cs2)c1
InChIInChI=1S/C19H16ClNO3S/c1-12-6-7-17(24-10-13-4-2-3-5-15(13)20)14(8-12)9-18-21-16(11-25-18)19(22)23/h2-8,11H,9-10H2,1H3,(H,22,23)
InChIKeyZKNRURQTASUDDQ-UHFFFAOYSA-N
XLogP4.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 59786241
2-[[5-methyl-2-(3-methylbutoxy)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 59786265
2-[[2-[(2-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 140527332
2-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 59786254
2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786412
2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid
CID 20984101
4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid
CID 82051907
1-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326375
N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 59786292
ethyl 2-[[5-chloro-2-[(2,4,5-trifluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786522
2-[[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 11979192
2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid
CID 18973803

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid (CID 59786429) is 2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid is Cc1ccc(OCc2ccccc2Cl)c(Cc2nc(C(=O)O)cs2)c1.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZKNRURQTASUDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-12-6-7-17(24-10-13-4-2-3-5-15(13)20)14(8-12)9-18-21-16(11-25-18)19(22)23/h2-8,11H,9-10H2,1H3,(H,22,23).
What are the key properties of 2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 373.86 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59786429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).