methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate

C11H18N2O4S — CID 114102391

IUPACmethyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCC(CNc1nc(C)c(C(=O)OC)s1)OC
InChIInChI=1S/C11H18N2O4S/c1-7-9(10(14)17-4)18-11(13-7)12-5-8(16-3)6-15-2/h8H,5-6H2,1-4H3,(H,12,13)
InChIKeyPULYCQJUUMCOCH-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.31
Rot. Bonds7

About methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 114102391) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID114102391
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCC(CNc1nc(C)c(C(=O)OC)s1)OC
InChIInChI=1S/C11H18N2O4S/c1-7-9(10(14)17-4)18-11(13-7)12-5-8(16-3)6-15-2/h8H,5-6H2,1-4H3,(H,12,13)
InChIKeyPULYCQJUUMCOCH-UHFFFAOYSA-N
XLogP1.31
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-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 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 114102391) is methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate is COCC(CNc1nc(C)c(C(=O)OC)s1)OC.
What is the InChIKey of methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PULYCQJUUMCOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7-9(10(14)17-4)18-11(13-7)12-5-8(16-3)6-15-2/h8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 114102391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).