ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate

C14H16N2O2S — CID 102765950

IUPACethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)C(Nc1ccccc1)c1scnc1C
InChIInChI=1S/C14H16N2O2S/c1-3-18-14(17)12(13-10(2)15-9-19-13)16-11-7-5-4-6-8-11/h4-9,12,16H,3H2,1-2H3
InChIKeyHADLVMSQWMGQAX-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.17
Rot. Bonds5

About ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate

ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate (PubChem CID 102765950) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate
PubChem CID102765950
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)C(Nc1ccccc1)c1scnc1C
InChIInChI=1S/C14H16N2O2S/c1-3-18-14(17)12(13-10(2)15-9-19-13)16-11-7-5-4-6-8-11/h4-9,12,16H,3H2,1-2H3
InChIKeyHADLVMSQWMGQAX-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765940
ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766001
ethyl 2-(3-bromo-4-chloroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766129
ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
CID 102765869
methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766012
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
methyl 2-(2-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765990
2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid
CID 102765838
ethyl (3R)-2,3-dihydroxy-3-(4-methyl-1,3-thiazol-5-yl)propanoate
CID 175760966
ethyl 2-anilino-2-(4-bromophenyl)acetate
CID 60992186
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
CID 60991921
ethyl 2-anilino-2-(2,3-difluorophenyl)acetate
CID 63668266

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The IUPAC name of ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate (CID 102765950) is ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate is CCOC(=O)C(Nc1ccccc1)c1scnc1C.
What is the InChIKey of ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The InChIKey is HADLVMSQWMGQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-18-14(17)12(13-10(2)15-9-19-13)16-11-7-5-4-6-8-11/h4-9,12,16H,3H2,1-2H3.
What are the key properties of ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate?
ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate has a molecular weight of 276.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 102765950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).