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

C9H14N2O2S — CID 107039652

IUPACmethyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(N(C)C)n1
InChIInChI=1S/C9H14N2O2S/c1-11(2)9-10-7(6-14-9)4-5-8(12)13-3/h6H,4-5H2,1-3H3
InChIKeyPWXFWGVLPZWLGG-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.31
Rot. Bonds4

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

methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039652) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID107039652
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Namemethyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(N(C)C)n1
InChIInChI=1S/C9H14N2O2S/c1-11(2)9-10-7(6-14-9)4-5-8(12)13-3/h6H,4-5H2,1-3H3
InChIKeyPWXFWGVLPZWLGG-UHFFFAOYSA-N
XLogP1.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
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-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040512
methyl 3-[2-[methyl(2-phenylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040420
methyl 3-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]propanoate
CID 107040183
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
methyl 3-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040201
methyl 3-[2-(1-ethylsulfanylethyl)-1,3-thiazol-4-yl]propanoate
CID 119050119
methyl 3-[2-(N-ethyl-3-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107040080
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate (CID 107039652) is methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(N(C)C)n1.
What is the InChIKey of methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is PWXFWGVLPZWLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-11(2)9-10-7(6-14-9)4-5-8(12)13-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 214.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).