methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate

C12H11ClN2O2S — CID 970978

IUPACmethyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(Nc2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2O2S/c1-17-11(16)6-8-7-18-12(14-8)15-10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyOGGKZPDYUMKHMX-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.26
Rot. Bonds4

About methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 970978) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate
PubChem CID970978
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Namemethyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(Nc2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2O2S/c1-17-11(16)6-8-7-18-12(14-8)15-10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyOGGKZPDYUMKHMX-UHFFFAOYSA-N
XLogP3.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Thiazoleacetic acid, 2-[[[(4-fluorophenyl)amino]carbonyl]amino]-, ethyl ester
CID 2813998
Ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 728643
Ethyl 2-((3-chlorophenyl)amino)-4-methylthiazole-5-carboxylate
CID 2731542
1-[2-(2-Chloroanilino)thiazole-4-yl]ethanone
CID 2744808
Ethyl (2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2816687
Methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate
CID 2741217
[2-(4-Fluoro-phenylamino)-thiazol-4-yl]-acetic acid
CID 1133217
[2-(3-Chloro-phenylamino)-thiazol-4-yl]-acetic acid
CID 1078637
Methyl 2-[2-(phenylamino)-1,3-thiazol-4-yl]acetate
CID 1528685
Methyl 2-[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 2128623
2-(2-Anilino-4-thiazolyl)-2-[(4-chlorophenyl)hydrazinylidene]acetic acid ethyl ester
CID 6270682
2-[2-(4-Butylanilino)-5-chloro-1,3-thiazol-4-yl]acetic acid
CID 137649968

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate (CID 970978) is methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(Nc2ccccc2Cl)n1.
What is the InChIKey of methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is OGGKZPDYUMKHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-17-11(16)6-8-7-18-12(14-8)15-10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 282.75 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-chloroanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 970978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).