ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate

C12H18N2O3S — CID 2966619

IUPACethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NCC2CCCO2)nc1C
InChIInChI=1S/C12H18N2O3S/c1-3-16-11(15)10-8(2)14-12(18-10)13-7-9-5-4-6-17-9/h9H,3-7H2,1-2H3,(H,13,14)
InChIKeyQUIYHHMLDJRKBB-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.22
Rot. Bonds5

About ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate (PubChem CID 2966619) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate
PubChem CID2966619
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NCC2CCCO2)nc1C
InChIInChI=1S/C12H18N2O3S/c1-3-16-11(15)10-8(2)14-12(18-10)13-7-9-5-4-6-17-9/h9H,3-7H2,1-2H3,(H,13,14)
InChIKeyQUIYHHMLDJRKBB-UHFFFAOYSA-N
XLogP2.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-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 ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate (CID 2966619) is ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NCC2CCCO2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is QUIYHHMLDJRKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-16-11(15)10-8(2)14-12(18-10)13-7-9-5-4-6-17-9/h9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2966619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).