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

C14H16N2O2S — CID 80571148

IUPACmethyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
SMILESCCc1ccc(N(C)c2ncc(C(=O)OC)s2)cc1
InChIInChI=1S/C14H16N2O2S/c1-4-10-5-7-11(8-6-10)16(2)14-15-9-12(19-14)13(17)18-3/h5-9H,4H2,1-3H3
InChIKeySAXXXNXSKIDDDI-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.26
Rot. Bonds4

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

methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate (PubChem CID 80571148) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
PubChem CID80571148
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
SMILESCCc1ccc(N(C)c2ncc(C(=O)OC)s2)cc1
InChIInChI=1S/C14H16N2O2S/c1-4-10-5-7-11(8-6-10)16(2)14-15-9-12(19-14)13(17)18-3/h5-9H,4H2,1-3H3
InChIKeySAXXXNXSKIDDDI-UHFFFAOYSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate (CID 80571148) is methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate is CCc1ccc(N(C)c2ncc(C(=O)OC)s2)cc1.
What is the InChIKey of methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is SAXXXNXSKIDDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-10-5-7-11(8-6-10)16(2)14-15-9-12(19-14)13(17)18-3/h5-9H,4H2,1-3H3.
What are the key properties of methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate?
methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).