2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine

C16H22N2S — CID 112644193

IUPAC2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCCCNCC(Cc1cncs1)c1ccc(C)cc1
InChIInChI=1S/C16H22N2S/c1-3-8-17-10-15(9-16-11-18-12-19-16)14-6-4-13(2)5-7-14/h4-7,11-12,15,17H,3,8-10H2,1-2H3
InChIKeyLJJXOCNISJPLOE-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.78
Rot. Bonds7

About 2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine

2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine (PubChem CID 112644193) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
PubChem CID112644193
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCCCNCC(Cc1cncs1)c1ccc(C)cc1
InChIInChI=1S/C16H22N2S/c1-3-8-17-10-15(9-16-11-18-12-19-16)14-6-4-13(2)5-7-14/h4-7,11-12,15,17H,3,8-10H2,1-2H3
InChIKeyLJJXOCNISJPLOE-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.78
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-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644237
3-(5-chlorothiophen-2-yl)-2-(4-methylphenyl)-N-propylpropan-1-amine
CID 79436514
3-(5-bromothiophen-2-yl)-2-(4-methylphenyl)-N-propylpropan-1-amine
CID 79436176
N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644019
3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645545
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82871414
2-(4-bromophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 79438116
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760386
N-[1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030701
2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979447
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
CID 115979461

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine (CID 112644193) is 2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine is CCCNCC(Cc1cncs1)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is LJJXOCNISJPLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-8-17-10-15(9-16-11-18-12-19-16)14-6-4-13(2)5-7-14/h4-7,11-12,15,17H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 112644193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).