2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid

C15H14Cl2N2O3S — CID 119187773

IUPAC2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)O
InChIInChI=1S/C15H14Cl2N2O3S/c1-15(2,14(21)22)19-12(20)6-9-7-23-13(18-9)10-4-3-8(16)5-11(10)17/h3-5,7H,6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNKFMRGZNBYIRTC-UHFFFAOYSA-N
MW373.26 g/mol
LogP3.64
Rot. Bonds5

About 2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid

2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid (PubChem CID 119187773) has the molecular formula C15H14Cl2N2O3S and a molecular weight of 373.26 g/mol. Its IUPAC name is 2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
PubChem CID119187773
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.26 g/mol
Exact Mass372.01
IUPAC Name2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)O
InChIInChI=1S/C15H14Cl2N2O3S/c1-15(2,14(21)22)19-12(20)6-9-7-23-13(18-9)10-4-3-8(16)5-11(10)17/h3-5,7H,6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNKFMRGZNBYIRTC-UHFFFAOYSA-N
XLogP3.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(4-chloro-2-cyclopropylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 146248163
2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 146248240
2-[[2-[2-(4-chloro-2-cyclohexa-1,5-dien-1-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 134601622
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187381
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-ynylacetamide
CID 49015977
5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 158428908
(2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid
CID 149340837
(2S)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(2-methylpropyl)-4-oxopentanoic acid
CID 162220818
(2S)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-(2-methylsulfanylethyl)-4-oxopentanoic acid
CID 149283128
1-[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119356217
methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 71884537
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515973

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid (CID 119187773) is 2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)O.
What is the InChIKey of 2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
The InChIKey is NKFMRGZNBYIRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S/c1-15(2,14(21)22)19-12(20)6-9-7-23-13(18-9)10-4-3-8(16)5-11(10)17/h3-5,7H,6H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid has a molecular weight of 373.26 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119187773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).