2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid

C13H11ClN2O4S — CID 106500579

IUPAC2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid
SMILESCc1csc(NC(=O)COc2ccc(Cl)c(C(=O)O)c2)n1
InChIInChI=1S/C13H11ClN2O4S/c1-7-6-21-13(15-7)16-11(17)5-20-8-2-3-10(14)9(4-8)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyLXHRRHAEFRFYCS-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.82
Rot. Bonds5

About 2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid

2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid (PubChem CID 106500579) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid
PubChem CID106500579
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid
SMILESCc1csc(NC(=O)COc2ccc(Cl)c(C(=O)O)c2)n1
InChIInChI=1S/C13H11ClN2O4S/c1-7-6-21-13(15-7)16-11(17)5-20-8-2-3-10(14)9(4-8)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyLXHRRHAEFRFYCS-UHFFFAOYSA-N
XLogP2.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924827
2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16547898
2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 106485075
4-methyl-3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid
CID 60702604
2-(4-butan-2-ylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361593
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 134064721
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361677
2-(4-chloro-3-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918628
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
2-(4-methoxyphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924821
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 55313713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid (CID 106500579) is 2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid is Cc1csc(NC(=O)COc2ccc(Cl)c(C(=O)O)c2)n1.
What is the InChIKey of 2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid?
The InChIKey is LXHRRHAEFRFYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-7-6-21-13(15-7)16-11(17)5-20-8-2-3-10(14)9(4-8)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid?
2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid has a molecular weight of 326.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 106500579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).