2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C15H18N2O2S — CID 39160887

IUPAC2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN(Cc1nc(C)c(C(=O)O)s1)c1cccc(C)c1
InChIInChI=1S/C15H18N2O2S/c1-4-17(12-7-5-6-10(2)8-12)9-13-16-11(3)14(20-13)15(18)19/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyWSYGQFYTTPBDRI-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.48
Rot. Bonds5

About 2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 39160887) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID39160887
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN(Cc1nc(C)c(C(=O)O)s1)c1cccc(C)c1
InChIInChI=1S/C15H18N2O2S/c1-4-17(12-7-5-6-10(2)8-12)9-13-16-11(3)14(20-13)15(18)19/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyWSYGQFYTTPBDRI-UHFFFAOYSA-N
XLogP3.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid 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

2-[(N-benzylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160889
4-[(N-ethyl-3-methylanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 80731381
4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227258
2-[2-[(N-ethyl-3-methylanilino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159567
2-(N-ethyl-3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765126
2-(N-ethyl-3-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396688
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-ethyl-3-methylaniline
CID 61104342
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
2-[(N-ethyl-3-methylanilino)methyl]-6-methylpyridin-3-ol
CID 82981868
2-[(dimethylamino)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227413
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697115

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 39160887) is 2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is CCN(Cc1nc(C)c(C(=O)O)s1)c1cccc(C)c1.
What is the InChIKey of 2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is WSYGQFYTTPBDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-17(12-7-5-6-10(2)8-12)9-13-16-11(3)14(20-13)15(18)19/h5-8H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 39160887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).