N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine

C15H20N2S — CID 64541630

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine
SMILESCc1nc(C)c(CNCCCc2ccccc2)s1
InChIInChI=1S/C15H20N2S/c1-12-15(18-13(2)17-12)11-16-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-11H2,1-2H3
InChIKeyWFGIKRJSACBHGJ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.48
Rot. Bonds6

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine (PubChem CID 64541630) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine
PubChem CID64541630
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine
SMILESCc1nc(C)c(CNCCCc2ccccc2)s1
InChIInChI=1S/C15H20N2S/c1-12-15(18-13(2)17-12)11-16-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-11H2,1-2H3
InChIKeyWFGIKRJSACBHGJ-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.48
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

N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82428035
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78996318
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 64540795
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine
CID 115694220
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111772736
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 64540988
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119891833
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111817557
2-(2,4-dichlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539502
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 64539293
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100787

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine (CID 64541630) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine is Cc1nc(C)c(CNCCCc2ccccc2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine?
The InChIKey is WFGIKRJSACBHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12-15(18-13(2)17-12)11-16-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-11H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 64541630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).