2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid

C19H15Cl2NO4S — CID 4874786

IUPAC2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cc(-c2nc(CC(=O)O)cs2)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H15Cl2NO4S/c1-25-17-7-11(19-22-12(10-27-19)8-18(23)24)5-6-16(17)26-9-13-14(20)3-2-4-15(13)21/h2-7,10H,8-9H2,1H3,(H,23,24)
InChIKeyXBBOYVPITYONDW-UHFFFAOYSA-N
MW424.31 g/mol
LogP5.33
Rot. Bonds7

About 2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 4874786) has the molecular formula C19H15Cl2NO4S and a molecular weight of 424.31 g/mol. Its IUPAC name is 2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID4874786
Molecular FormulaC19H15Cl2NO4S
Molecular Weight424.31 g/mol
Exact Mass423.01
IUPAC Name2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cc(-c2nc(CC(=O)O)cs2)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H15Cl2NO4S/c1-25-17-7-11(19-22-12(10-27-19)8-18(23)24)5-6-16(17)26-9-13-14(20)3-2-4-15(13)21/h2-7,10H,8-9H2,1H3,(H,23,24)
InChIKeyXBBOYVPITYONDW-UHFFFAOYSA-N
XLogP5.33
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.31
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20990309
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22682050
2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980528
[2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 46165072
2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 7895978
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46165555
2-[2-[4-methoxy-3-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20990950
2-[2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987679
2-[2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20989993
2-[2-[[(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 102535139
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid (CID 4874786) is 2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid is COc1cc(-c2nc(CC(=O)O)cs2)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XBBOYVPITYONDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4S/c1-25-17-7-11(19-22-12(10-27-19)8-18(23)24)5-6-16(17)26-9-13-14(20)3-2-4-15(13)21/h2-7,10H,8-9H2,1H3,(H,23,24).
What are the key properties of 2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 424.31 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 4874786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).