2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate

C14H11Cl2N2O3S- — CID 9148055

IUPAC2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(CC(=O)NCc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H12Cl2N2O3S/c15-10-2-1-3-11(16)9(10)6-17-12(19)5-13-18-8(7-22-13)4-14(20)21/h1-3,7H,4-6H2,(H,17,19)(H,20,21)/p-1
InChIKeyWEZJJPXWQHWKDQ-UHFFFAOYSA-M
MW358.23 g/mol
LogP1.60
Rot. Bonds6

About 2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate

2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate (PubChem CID 9148055) has the molecular formula C14H11Cl2N2O3S- and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
PubChem CID9148055
Molecular FormulaC14H11Cl2N2O3S-
Molecular Weight358.23 g/mol
Exact Mass356.99
IUPAC Name2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(CC(=O)NCc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H12Cl2N2O3S/c15-10-2-1-3-11(16)9(10)6-17-12(19)5-13-18-8(7-22-13)4-14(20)21/h1-3,7H,4-6H2,(H,17,19)(H,20,21)/p-1
InChIKeyWEZJJPXWQHWKDQ-UHFFFAOYSA-M
XLogP1.60
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148071
2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148100
2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148390
N-[(2-chlorophenyl)methyl]-2-[2-(sulfanylmethyl)-1,3-thiazol-4-yl]acetamide
CID 91525687
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9153877
2-[2-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9155391
2-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148029
2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 47312763
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 43320091
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 43320104
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 63308967

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate (CID 9148055) is 2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate is O=C([O-])Cc1csc(CC(=O)NCc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is WEZJJPXWQHWKDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12Cl2N2O3S/c15-10-2-1-3-11(16)9(10)6-17-12(19)5-13-18-8(7-22-13)4-14(20)21/h1-3,7H,4-6H2,(H,17,19)(H,20,21)/p-1.
What are the key properties of 2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 358.23 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9148055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).