methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate

C13H14N2O3S — CID 115423970

IUPACmethyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate
SMILESCCOc1cccc(Nc2nc(C(=O)OC)cs2)c1
InChIInChI=1S/C13H14N2O3S/c1-3-18-10-6-4-5-9(7-10)14-13-15-11(8-19-13)12(16)17-2/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyPGJQGZLCUNTIDH-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.07
Rot. Bonds5

About methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate

methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate (PubChem CID 115423970) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate
PubChem CID115423970
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namemethyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate
SMILESCCOc1cccc(Nc2nc(C(=O)OC)cs2)c1
InChIInChI=1S/C13H14N2O3S/c1-3-18-10-6-4-5-9(7-10)14-13-15-11(8-19-13)12(16)17-2/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyPGJQGZLCUNTIDH-UHFFFAOYSA-N
XLogP3.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423227
methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569757
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate
CID 103486018
methyl 2-(3,5-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423273
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
CID 80568988
methyl 2-(2,6-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 113306686
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16954889
2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813598

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate (CID 115423970) is methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate is CCOc1cccc(Nc2nc(C(=O)OC)cs2)c1.
What is the InChIKey of methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is PGJQGZLCUNTIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-18-10-6-4-5-9(7-10)14-13-15-11(8-19-13)12(16)17-2/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate?
methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).