ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate

C14H16N2O2S2 — CID 116526375

IUPACethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccc(SC)cc2)sc1C
InChIInChI=1S/C14H16N2O2S2/c1-4-18-13(17)12-9(2)20-14(16-12)15-10-5-7-11(19-3)8-6-10/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyJRVJAWMQWULZEI-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.09
Rot. Bonds5

About ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate (PubChem CID 116526375) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
PubChem CID116526375
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Nameethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccc(SC)cc2)sc1C
InChIInChI=1S/C14H16N2O2S2/c1-4-18-13(17)12-9(2)20-14(16-12)15-10-5-7-11(19-3)8-6-10/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyJRVJAWMQWULZEI-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 115423111
ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 893133
ethyl 2-(4-bromo-3-fluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526915
ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123
ethyl 2-(2,6-difluoro-3-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527053
ethyl 2-(2,6-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526443
ethyl 2-(4-fluoro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526425
ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526403
methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424867
ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
CID 80575413
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 2-[(1-amino-1-oxopropan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526523

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate (CID 116526375) is ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(Nc2ccc(SC)cc2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is JRVJAWMQWULZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-4-18-13(17)12-9(2)20-14(16-12)15-10-5-7-11(19-3)8-6-10/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 308.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).