methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate

C16H20N2O2S — CID 107040080

IUPACmethyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate
SMILESCCN(c1cccc(C)c1)c1nc(CCC(=O)OC)cs1
InChIInChI=1S/C16H20N2O2S/c1-4-18(14-7-5-6-12(2)10-14)16-17-13(11-21-16)8-9-15(19)20-3/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyULYWJQJSLWNATK-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.72
Rot. Bonds6

About methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate (PubChem CID 107040080) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate
PubChem CID107040080
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Namemethyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate
SMILESCCN(c1cccc(C)c1)c1nc(CCC(=O)OC)cs1
InChIInChI=1S/C16H20N2O2S/c1-4-18(14-7-5-6-12(2)10-14)16-17-13(11-21-16)8-9-15(19)20-3/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyULYWJQJSLWNATK-UHFFFAOYSA-N
XLogP3.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039914
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
methyl 3-[2-[methyl(2-phenylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040420
4-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 39131522
methyl 3-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]propanoate
CID 107039611
3-[2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487230
5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697115
methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040251
methyl 3-[2-[methyl(2-methylpropyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040003
methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate
CID 119050119

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate (CID 107040080) is methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate is CCN(c1cccc(C)c1)c1nc(CCC(=O)OC)cs1.
What is the InChIKey of methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is ULYWJQJSLWNATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-18(14-7-5-6-12(2)10-14)16-17-13(11-21-16)8-9-15(19)20-3/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 304.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107040080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).