ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate

C13H14N2O2S — CID 807772

IUPACethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccccc2)nc1C
InChIInChI=1S/C13H14N2O2S/c1-3-17-12(16)11-9(2)14-13(18-11)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyVQXNEYSGMWEITA-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.37
Rot. Bonds4

About ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 807772) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID807772
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Nameethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccccc2)nc1C
InChIInChI=1S/C13H14N2O2S/c1-3-17-12(16)11-9(2)14-13(18-11)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyVQXNEYSGMWEITA-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
CID 144672585
ethyl 4-methyl-2-(phenylmethoxycarbonylamino)-1,3-thiazole-5-carboxylate
CID 53419430
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569757
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 4-methyl-2-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 5398827
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 135894937
ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2890942
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate (CID 807772) is ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ccccc2)nc1C.
What is the InChIKey of ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is VQXNEYSGMWEITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-17-12(16)11-9(2)14-13(18-11)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 807772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).