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

C16H22N2S — CID 79420864

IUPAC2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCCCNCC(Cc1cscn1)c1ccccc1C
InChIInChI=1S/C16H22N2S/c1-3-8-17-10-14(9-15-11-19-12-18-15)16-7-5-4-6-13(16)2/h4-7,11-12,14,17H,3,8-10H2,1-2H3
InChIKeyWWZPWXKYIXQFCP-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.78
Rot. Bonds7

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

2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine (PubChem CID 79420864) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
PubChem CID79420864
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCCCNCC(Cc1cscn1)c1ccccc1C
InChIInChI=1S/C16H22N2S/c1-3-8-17-10-14(9-15-11-19-12-18-15)16-7-5-4-6-13(16)2/h4-7,11-12,14,17H,3,8-10H2,1-2H3
InChIKeyWWZPWXKYIXQFCP-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-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443167
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424300
3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424302
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
CID 79421664
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
2-[(3-chlorophenyl)methyl]-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62516119
4-(1-methylimidazol-2-yl)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 114531502
N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79416654
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111119591
N-[2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79439453

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine (CID 79420864) is 2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine is CCCNCC(Cc1cscn1)c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is WWZPWXKYIXQFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-8-17-10-14(9-15-11-19-12-18-15)16-7-5-4-6-13(16)2/h4-7,11-12,14,17H,3,8-10H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine?
2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-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-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 79420864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).