3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine

C15H20N2S — CID 116888293

IUPAC3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1csc(-c2cc(C)ccc2C)n1
InChIInChI=1S/C15H20N2S/c1-11-6-7-12(2)14(9-11)15-17-13(10-18-15)5-4-8-16-3/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyWRULGQKVTNCHPA-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.58
Rot. Bonds5

About 3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine

3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine (PubChem CID 116888293) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
PubChem CID116888293
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1csc(-c2cc(C)ccc2C)n1
InChIInChI=1S/C15H20N2S/c1-11-6-7-12(2)14(9-11)15-17-13(10-18-15)5-4-8-16-3/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyWRULGQKVTNCHPA-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089531
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
CID 116891864
3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089135
N-methyl-2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115089122
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 82087185
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275577
4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole
CID 116888989
3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888287
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
N-methyl-1-[2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanamine
CID 116868246

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine (CID 116888293) is 3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine is CNCCCc1csc(-c2cc(C)ccc2C)n1.
What is the InChIKey of 3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is WRULGQKVTNCHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-6-7-12(2)14(9-11)15-17-13(10-18-15)5-4-8-16-3/h6-7,9-10,16H,4-5,8H2,1-3H3.
What are the key properties of 3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 116888293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).