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

C8H12N2O2S — CID 67428223

IUPACethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C)nc1NC
InChIInChI=1S/C8H12N2O2S/c1-4-12-8(11)6-7(9-3)10-5(2)13-6/h9H,4H2,1-3H3
InChIKeyRBDDMEGAZHTBHS-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.67
Rot. Bonds3

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

ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate (PubChem CID 67428223) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate
PubChem CID67428223
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C)nc1NC
InChIInChI=1S/C8H12N2O2S/c1-4-12-8(11)6-7(9-3)10-5(2)13-6/h9H,4H2,1-3H3
InChIKeyRBDDMEGAZHTBHS-UHFFFAOYSA-N
XLogP1.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methyl-4-(methylamino)-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

Related Compounds

diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate
CID 27277044
ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate
CID 57438572
ethane;ethyl 4-(methoxymethyl)-2-methyl-1,3-thiazole-5-carboxylate
CID 143933499
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954923
diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate
CID 101263964
5-acetyl-2-methyl-1,3-thiazole-4-carboxamide;azane;ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate
CID 158653673
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286
ethyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
CID 59291239
ethyl 4-[2-(methylamino)ethylamino]-2-(4-methylphenyl)-1,3-thiazole-5-carboxylate
CID 71609835
diethyl 2-ethynyl-1,3-thiazole-4,5-dicarboxylate
CID 86609815

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate (CID 67428223) is ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C)nc1NC.
What is the InChIKey of ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is RBDDMEGAZHTBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-4-12-8(11)6-7(9-3)10-5(2)13-6/h9H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate?
ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67428223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).