methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate

C13H21N3O2S — CID 113307093

IUPACmethyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)CCN2CCCC2)sc1C
InChIInChI=1S/C13H21N3O2S/c1-10-11(12(17)18-3)14-13(19-10)15(2)8-9-16-6-4-5-7-16/h4-9H2,1-3H3
InChIKeyMEFVGLOVIWUSPQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.77
Rot. Bonds5

About methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 113307093) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID113307093
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Namemethyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)CCN2CCCC2)sc1C
InChIInChI=1S/C13H21N3O2S/c1-10-11(12(17)18-3)14-13(19-10)15(2)8-9-16-6-4-5-7-16/h4-9H2,1-3H3
InChIKeyMEFVGLOVIWUSPQ-UHFFFAOYSA-N
XLogP1.77
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate 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 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate (CID 113307093) is methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N(C)CCN2CCCC2)sc1C.
What is the InChIKey of methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is MEFVGLOVIWUSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-11(12(17)18-3)14-13(19-10)15(2)8-9-16-6-4-5-7-16/h4-9H2,1-3H3.
What are the key properties of methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113307093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).