methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate

C12H18N2O3S — CID 51083211

IUPACmethyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1sc(C)nc1C
InChIInChI=1S/C12H18N2O3S/c1-5-6-14(7-10(15)17-4)12(16)11-8(2)13-9(3)18-11/h5-7H2,1-4H3
InChIKeyMBNKXCHTANMDLP-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.79
Rot. Bonds5

About methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate

methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate (PubChem CID 51083211) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate
PubChem CID51083211
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1sc(C)nc1C
InChIInChI=1S/C12H18N2O3S/c1-5-6-14(7-10(15)17-4)12(16)11-8(2)13-9(3)18-11/h5-7H2,1-4H3
InChIKeyMBNKXCHTANMDLP-UHFFFAOYSA-N
XLogP1.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate (CID 51083211) is methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)c1sc(C)nc1C.
What is the InChIKey of methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate?
The InChIKey is MBNKXCHTANMDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-5-6-14(7-10(15)17-4)12(16)11-8(2)13-9(3)18-11/h5-7H2,1-4H3.
What are the key properties of methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate?
methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate has a molecular weight of 270.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate is sourced from PubChem (CID 51083211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).