methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate

C15H18N2O2S — CID 107039914

IUPACmethyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C15H18N2O2S/c1-10-4-6-13(11(2)8-10)17-15-16-12(9-20-15)5-7-14(18)19-3/h4,6,8-9H,5,7H2,1-3H3,(H,16,17)
InChIKeyHMSGOCWGCNVQGV-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.61
Rot. Bonds5

About methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039914) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
PubChem CID107039914
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namemethyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C15H18N2O2S/c1-10-4-6-13(11(2)8-10)17-15-16-12(9-20-15)5-7-14(18)19-3/h4,6,8-9H,5,7H2,1-3H3,(H,16,17)
InChIKeyHMSGOCWGCNVQGV-UHFFFAOYSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039928
methyl 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 107039927
4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 28711219
4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179844
methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039932
methyl 3-[2-(3-chloro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039867
methyl 3-[2-(3-bromo-2-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107638494
ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000
N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453456
methyl 3-[2-[(1-amino-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040035
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate (CID 107039914) is methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(Nc2ccc(C)cc2C)n1.
What is the InChIKey of methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is HMSGOCWGCNVQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-4-6-13(11(2)8-10)17-15-16-12(9-20-15)5-7-14(18)19-3/h4,6,8-9H,5,7H2,1-3H3,(H,16,17).
What are the key properties of methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 290.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).