4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine

C13H17N3S — CID 28711219

IUPAC4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CCN)cs2)c(C)c1
InChIInChI=1S/C13H17N3S/c1-9-3-4-12(10(2)7-9)16-13-15-11(5-6-14)8-17-13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyDYHZUJSLJDNCAL-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.00
Rot. Bonds4

About 4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine

4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 28711219) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID28711219
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CCN)cs2)c(C)c1
InChIInChI=1S/C13H17N3S/c1-9-3-4-12(10(2)7-9)16-13-15-11(5-6-14)8-17-13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyDYHZUJSLJDNCAL-UHFFFAOYSA-N
XLogP3.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-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

4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179844
methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039914
4-(2-aminoethyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 10647870
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410
4-(chloromethyl)-N-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179805
4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
CID 28711493
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918214
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-3-(2-hexanoyl-4-methylphenyl)urea
CID 174545529
4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 28710900
N-(2,4-dimethylphenyl)-2-[2-(ethylamino)-1,3-thiazol-4-yl]acetamide
CID 18525097

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (CID 28711219) is 4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(CCN)cs2)c(C)c1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is DYHZUJSLJDNCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-3-4-12(10(2)7-9)16-13-15-11(5-6-14)8-17-13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 28711219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).