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

C13H14N2O2S — CID 79375893

IUPACethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1ccccc1
InChIInChI=1S/C13H14N2O2S/c1-3-17-13(16)11-9(2)15-18-12(11)14-10-7-5-4-6-8-10/h4-8,14H,3H2,1-2H3
InChIKeyMGAWUVHPFYLRDQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.37
Rot. Bonds4

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

ethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79375893) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79375893
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Nameethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1ccccc1
InChIInChI=1S/C13H14N2O2S/c1-3-17-13(16)11-9(2)15-18-12(11)14-10-7-5-4-6-8-10/h4-8,14H,3H2,1-2H3
InChIKeyMGAWUVHPFYLRDQ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate (CID 79375893) is ethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1Nc1ccccc1.
What is the InChIKey of ethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is MGAWUVHPFYLRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-17-13(16)11-9(2)15-18-12(11)14-10-7-5-4-6-8-10/h4-8,14H,3H2,1-2H3.
What are the key properties of ethyl 5-anilino-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-anilino-3-methyl-1,2-thiazole-4-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 5-anilino-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79375893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).