2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid

C15H14Cl2N2O4S — CID 119348120

IUPAC2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H14Cl2N2O4S/c1-23-5-4-19(7-13(20)21)15(22)12-8-24-14(18-12)9-2-3-10(16)11(17)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,20,21)
InChIKeyUWIBAZANAQYQHW-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.29
Rot. Bonds7

About 2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid

2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119348120) has the molecular formula C15H14Cl2N2O4S and a molecular weight of 389.26 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119348120
Molecular FormulaC15H14Cl2N2O4S
Molecular Weight389.26 g/mol
Exact Mass388.01
IUPAC Name2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H14Cl2N2O4S/c1-23-5-4-19(7-13(20)21)15(22)12-8-24-14(18-12)9-2-3-10(16)11(17)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,20,21)
InChIKeyUWIBAZANAQYQHW-UHFFFAOYSA-N
XLogP3.29
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189802
N,N-bis(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55555192
2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119204842
2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 119189301
N-(2-methoxyethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134062420
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119205035
2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189144
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 106817926
2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid
CID 120516155
2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119778595
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid (CID 119348120) is 2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is UWIBAZANAQYQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4S/c1-23-5-4-19(7-13(20)21)15(22)12-8-24-14(18-12)9-2-3-10(16)11(17)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,20,21).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid?
2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 389.26 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119348120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).