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

C14H15ClN2O2S — CID 104770636

IUPACethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(Cl)c1)c1nc(C)cs1
InChIInChI=1S/C14H15ClN2O2S/c1-3-19-14(18)12(13-16-9(2)8-20-13)17-11-6-4-5-10(15)7-11/h4-8,12,17H,3H2,1-2H3
InChIKeyBZCCEJSAHOIPOD-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.82
Rot. Bonds5

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

ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate (PubChem CID 104770636) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
PubChem CID104770636
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Nameethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(Cl)c1)c1nc(C)cs1
InChIInChI=1S/C14H15ClN2O2S/c1-3-19-14(18)12(13-16-9(2)8-20-13)17-11-6-4-5-10(15)7-11/h4-8,12,17H,3H2,1-2H3
InChIKeyBZCCEJSAHOIPOD-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770658
ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124321
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770653
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770250
ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345223
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 113451359
ethyl 2-(3-chloroanilino)-3-methylbutanoate
CID 61317893
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104770695
ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate
CID 104579188
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366
ethyl 2-(3-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116502017
ethyl 4-[(3-chlorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697628

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate (CID 104770636) is ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate is CCOC(=O)C(Nc1cccc(Cl)c1)c1nc(C)cs1.
What is the InChIKey of ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The InChIKey is BZCCEJSAHOIPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-3-19-14(18)12(13-16-9(2)8-20-13)17-11-6-4-5-10(15)7-11/h4-8,12,17H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate has a molecular weight of 310.81 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 104770636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).