ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride

C13H14ClNO2S — CID 112758002

IUPACethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1nc(C)sc1-c1ccccc1.Cl
InChIInChI=1S/C13H13NO2S.ClH/c1-3-16-13(15)11-12(17-9(2)14-11)10-7-5-4-6-8-10;/h4-8H,3H2,1-2H3;1H
InChIKeyYTRLPLRYEBFIGD-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.72
Rot. Bonds3

About ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride

ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride (PubChem CID 112758002) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
PubChem CID112758002
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Nameethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1nc(C)sc1-c1ccccc1.Cl
InChIInChI=1S/C13H13NO2S.ClH/c1-3-16-13(15)11-12(17-9(2)14-11)10-7-5-4-6-8-10;/h4-8H,3H2,1-2H3;1H
InChIKeyYTRLPLRYEBFIGD-UHFFFAOYSA-N
XLogP3.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride 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 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291290
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271415
ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291434
ethyl 2-(2-bromoethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 174600643
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
(5-methyl-1,3-oxazol-2-yl)methyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 75448900
(2-bromophenyl) 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 43854679
ethyl 5-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 59446803
[(2S)-pent-4-yn-2-yl] 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 97342349
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 43854833

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride (CID 112758002) is ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride is CCOC(=O)c1nc(C)sc1-c1ccccc1.Cl.
What is the InChIKey of ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride?
The InChIKey is YTRLPLRYEBFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S.ClH/c1-3-16-13(15)11-12(17-9(2)14-11)10-7-5-4-6-8-10;/h4-8H,3H2,1-2H3;1H.
What are the key properties of ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride?
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride has a molecular weight of 283.78 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 112758002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).