ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate

C13H17N3O2S2 — CID 116527076

IUPACethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(C)c2ncc(C)s2)sc1C
InChIInChI=1S/C13H17N3O2S2/c1-5-18-12(17)10-9(4)20-13(16-10)15-8(3)11-14-6-7(2)19-11/h6,8H,5H2,1-4H3,(H,15,16)
InChIKeyJEVAIRCDNQWDKP-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.57
Rot. Bonds5

About ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 116527076) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID116527076
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Nameethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(C)c2ncc(C)s2)sc1C
InChIInChI=1S/C13H17N3O2S2/c1-5-18-12(17)10-9(4)20-13(16-10)15-8(3)11-14-6-7(2)19-11/h6,8H,5H2,1-4H3,(H,15,16)
InChIKeyJEVAIRCDNQWDKP-UHFFFAOYSA-N
XLogP3.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-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

Related Compounds

ethyl 2-[1-(4-fluorophenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526620
ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate
CID 116526509
ethyl 2-[(1-amino-1-oxopropan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526523
ethyl 2-[1-(diethylamino)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526669
ethyl 2-(heptan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526761
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 2-(4-ethylsulfanylbutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527146
methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 114059853
ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate
CID 103263521
ethyl 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526394
ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 893133
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423794

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate (CID 116527076) is ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC(C)c2ncc(C)s2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is JEVAIRCDNQWDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-5-18-12(17)10-9(4)20-13(16-10)15-8(3)11-14-6-7(2)19-11/h6,8H,5H2,1-4H3,(H,15,16).
What are the key properties of ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 311.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116527076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).