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

C15H14Cl2N2O4S — CID 24687704

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O4S/c1-9-8-24-15(22)19(9)6-14(21)23-7-13(20)18-5-10-2-3-11(16)4-12(10)17/h2-4,8H,5-7H2,1H3,(H,18,20)
InChIKeyYYFOVXNOQKVYMJ-UHFFFAOYSA-N
MW389.26 g/mol
LogP2.38
Rot. Bonds6

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

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 24687704) has the molecular formula C15H14Cl2N2O4S and a molecular weight of 389.26 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID24687704
Molecular FormulaC15H14Cl2N2O4S
Molecular Weight389.26 g/mol
Exact Mass388.01
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O4S/c1-9-8-24-15(22)19(9)6-14(21)23-7-13(20)18-5-10-2-3-11(16)4-12(10)17/h2-4,8H,5-7H2,1H3,(H,18,20)
InChIKeyYYFOVXNOQKVYMJ-UHFFFAOYSA-N
XLogP2.38
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate with MolForge

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9166545
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24982390
[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 8007402
O-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ethanethioate
CID 91503063
Acetic acid, 2-[[(2,4-dichlorophenyl)methyl]amino]-2-oxo-, ethyl ester
CID 244922
Ethyl 2-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]sulfanylacetate
CID 2443704
[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl] 2-ethoxyacetate
CID 2563937
Ethyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3799596
Ethyl 2-[({[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]amino}carbonyl)sulfanyl]acetate
CID 3816069
Ethyl 2-[[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3869218
Ethyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 4073712
ethyl 2-[[(2S)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 7225270

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 24687704) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is YYFOVXNOQKVYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4S/c1-9-8-24-15(22)19(9)6-14(21)23-7-13(20)18-5-10-2-3-11(16)4-12(10)17/h2-4,8H,5-7H2,1H3,(H,18,20).
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 389.26 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 24687704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).