(2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid

C15H13Cl2NO3S — CID 149340837

IUPAC(2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid
SMILESC[C@H](CC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)O
InChIInChI=1S/C15H13Cl2NO3S/c1-8(15(20)21)4-11(19)6-10-7-22-14(18-10)12-3-2-9(16)5-13(12)17/h2-3,5,7-8H,4,6H2,1H3,(H,20,21)/t8-/m1/s1
InChIKeyYEDNPOPMFRFGIZ-MRVPVSSYSA-N
MW358.25 g/mol
LogP4.34
Rot. Bonds6

About (2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid

(2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid (PubChem CID 149340837) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is (2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid
PubChem CID149340837
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name(2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid
SMILESC[C@H](CC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)O
InChIInChI=1S/C15H13Cl2NO3S/c1-8(15(20)21)4-11(19)6-10-7-22-14(18-10)12-3-2-9(16)5-13(12)17/h2-3,5,7-8H,4,6H2,1H3,(H,20,21)/t8-/m1/s1
InChIKeyYEDNPOPMFRFGIZ-MRVPVSSYSA-N
XLogP4.34
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 158428908
2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187773
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-ethyl-4-oxopentanoic acid
CID 161099484
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-ynylacetamide
CID 49015977
2-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 162155202
2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 146248240
1-[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119356217
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890262
(2R)-5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-(2-methylpropyl)-4-oxopentanoic acid
CID 159025387
(2R)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylpentanoic acid
CID 161429755

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid?
The IUPAC name of (2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid (CID 149340837) is (2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid.
What is the SMILES notation for (2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid?
The canonical SMILES for (2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid is C[C@H](CC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)O.
What is the InChIKey of (2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid?
The InChIKey is YEDNPOPMFRFGIZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-8(15(20)21)4-11(19)6-10-7-22-14(18-10)12-3-2-9(16)5-13(12)17/h2-3,5,7-8H,4,6H2,1H3,(H,20,21)/t8-/m1/s1.
What are the key properties of (2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid?
(2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid has a molecular weight of 358.25 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methyl-4-oxopentanoic acid is sourced from PubChem (CID 149340837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).