2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine

C14H18N2S — CID 82086302

IUPAC2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCc1ccc(C)c(Cc2csc(CCN)n2)c1
InChIInChI=1S/C14H18N2S/c1-10-3-4-11(2)12(7-10)8-13-9-17-14(16-13)5-6-15/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyNOROCWGHMFIVLL-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.85
Rot. Bonds4

About 2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine

2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 82086302) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID82086302
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCc1ccc(C)c(Cc2csc(CCN)n2)c1
InChIInChI=1S/C14H18N2S/c1-10-3-4-11(2)12(7-10)8-13-9-17-14(16-13)5-6-15/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyNOROCWGHMFIVLL-UHFFFAOYSA-N
XLogP2.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine 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-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82090307
2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918214
4-(chloromethyl)-2-[(2,4-dimethylphenyl)methyl]-1,3-thiazole
CID 82087848
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline
CID 66388647
2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3289571
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 110450916
[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62330445
3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089230
4-(chloromethyl)-2-[3-(2,5-dimethylphenoxy)propyl]-1,3-thiazole
CID 43138105
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110451007
2-[2-[(4-methyl-3-nitrophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 83969660

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine (CID 82086302) is 2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine is Cc1ccc(C)c(Cc2csc(CCN)n2)c1.
What is the InChIKey of 2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is NOROCWGHMFIVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-3-4-11(2)12(7-10)8-13-9-17-14(16-13)5-6-15/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of 2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 246.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 82086302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).