2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine

C17H24N2S — CID 83977459

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H24N2S/c1-12-7-5-6-8-13(12)9-14(10-18)16-19-15(11-20-16)17(2,3)4/h5-8,11,14H,9-10,18H2,1-4H3
InChIKeyXJAYEBMGXNBTCW-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.03
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine

2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 83977459) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine
PubChem CID83977459
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H24N2S/c1-12-7-5-6-8-13(12)9-14(10-18)16-19-15(11-20-16)17(2,3)4/h5-8,11,14H,9-10,18H2,1-4H3
InChIKeyXJAYEBMGXNBTCW-UHFFFAOYSA-N
XLogP4.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-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

3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977375
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3-methylphenyl)propan-1-amine
CID 83977458
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 83977452
3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977372
2-(2,4-dimethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83972876
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 79820438
2-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987811
3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977396
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79820357
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977399

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine (CID 83977459) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1CC(CN)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is XJAYEBMGXNBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12-7-5-6-8-13(12)9-14(10-18)16-19-15(11-20-16)17(2,3)4/h5-8,11,14H,9-10,18H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 83977459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).