2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid

C21H14ClNO3S — CID 20984101

IUPAC2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2c(OCc3ccccc3Cl)ccc3ccccc23)n1
InChIInChI=1S/C21H14ClNO3S/c22-16-8-4-2-6-14(16)11-26-18-10-9-13-5-1-3-7-15(13)19(18)20-23-17(12-27-20)21(24)25/h1-10,12H,11H2,(H,24,25)
InChIKeyJNZROINSTRRYSA-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.89
Rot. Bonds5

About 2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid

2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 20984101) has the molecular formula C21H14ClNO3S and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID20984101
Molecular FormulaC21H14ClNO3S
Molecular Weight395.87 g/mol
Exact Mass395.04
IUPAC Name2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2c(OCc3ccccc3Cl)ccc3ccccc23)n1
InChIInChI=1S/C21H14ClNO3S/c22-16-8-4-2-6-14(16)11-26-18-10-9-13-5-1-3-7-15(13)19(18)20-23-17(12-27-20)21(24)25/h1-10,12H,11H2,(H,24,25)
InChIKeyJNZROINSTRRYSA-UHFFFAOYSA-N
XLogP5.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-phenoxyethoxy)naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid
CID 22687267
2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 59786429
2-[[1-[2-[(1-carboxynaphthalen-2-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylic acid
CID 171648145
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992347
2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20991355
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 61397623
2-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 42865737
2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 20984124
N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865825
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
CID 94844311

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid (CID 20984101) is 2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2c(OCc3ccccc3Cl)ccc3ccccc23)n1.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JNZROINSTRRYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO3S/c22-16-8-4-2-6-14(16)11-26-18-10-9-13-5-1-3-7-15(13)19(18)20-23-17(12-27-20)21(24)25/h1-10,12H,11H2,(H,24,25).
What are the key properties of 2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 395.87 g/mol, XLogP of 5.89, 5 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]naphthalen-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 20984101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).