2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate

C19H14Cl2NO4S- — CID 7895978

IUPAC2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOc1cc(-c2nc(C)c(C(=O)[O-])s2)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H15Cl2NO4S/c1-10-17(19(23)24)27-18(22-10)11-6-7-15(16(8-11)25-2)26-9-12-13(20)4-3-5-14(12)21/h3-8H,9H2,1-2H3,(H,23,24)/p-1
InChIKeySNGAEOVTAAMLOT-UHFFFAOYSA-M
MW423.30 g/mol
LogP4.38
Rot. Bonds6

About 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate

2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 7895978) has the molecular formula C19H14Cl2NO4S- and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID7895978
Molecular FormulaC19H14Cl2NO4S-
Molecular Weight423.30 g/mol
Exact Mass422.00
IUPAC Name2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOc1cc(-c2nc(C)c(C(=O)[O-])s2)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H15Cl2NO4S/c1-10-17(19(23)24)27-18(22-10)11-6-7-15(16(8-11)25-2)26-9-12-13(20)4-3-5-14(12)21/h3-8H,9H2,1-2H3,(H,23,24)/p-1
InChIKeySNGAEOVTAAMLOT-UHFFFAOYSA-M
XLogP4.38
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745227
2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid
CID 4874786
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 7745333
2-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20989348
4-methyl-2-[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7895987
[2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 46165072
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46165555
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7745349
2-(3-bromo-5-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745239
1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 61288983
2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988996

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 7895978) is 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate is COc1cc(-c2nc(C)c(C(=O)[O-])s2)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is SNGAEOVTAAMLOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15Cl2NO4S/c1-10-17(19(23)24)27-18(22-10)11-6-7-15(16(8-11)25-2)26-9-12-13(20)4-3-5-14(12)21/h3-8H,9H2,1-2H3,(H,23,24)/p-1.
What are the key properties of 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate?
2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 423.30 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7895978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).