2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine

C14H18N2S — CID 116888227

IUPAC2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCc1ccc(-c2nc(CC(C)(C)N)cs2)cc1
InChIInChI=1S/C14H18N2S/c1-10-4-6-11(7-5-10)13-16-12(9-17-13)8-14(2,3)15/h4-7,9H,8,15H2,1-3H3
InChIKeyJUFOMWQMRFENEN-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.40
Rot. Bonds3

About 2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine

2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 116888227) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID116888227
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCc1ccc(-c2nc(CC(C)(C)N)cs2)cc1
InChIInChI=1S/C14H18N2S/c1-10-4-6-11(7-5-10)13-16-12(9-17-13)8-14(2,3)15/h4-7,9H,8,15H2,1-3H3
InChIKeyJUFOMWQMRFENEN-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine 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-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797
1-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropan-2-amine
CID 116888250
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
(2S,3S)-1,4-bis[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]butane-2,3-diol
CID 98082805
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]aniline
CID 43248905
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333523
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethylbenzoate
CID 7749255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine (CID 116888227) is 2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine is Cc1ccc(-c2nc(CC(C)(C)N)cs2)cc1.
What is the InChIKey of 2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is JUFOMWQMRFENEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-4-6-11(7-5-10)13-16-12(9-17-13)8-14(2,3)15/h4-7,9H,8,15H2,1-3H3.
What are the key properties of 2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine?
2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 116888227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).