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

C15H20N2S — CID 82102878

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNCCc2nc(C)c(C)s2)cc1
InChIInChI=1S/C15H20N2S/c1-11-4-6-14(7-5-11)10-16-9-8-15-17-12(2)13(3)18-15/h4-7,16H,8-10H2,1-3H3
InChIKeyLOVPVVYJKFJOPV-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.40
Rot. Bonds5

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

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 82102878) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID82102878
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNCCc2nc(C)c(C)s2)cc1
InChIInChI=1S/C15H20N2S/c1-11-4-6-14(7-5-11)10-16-9-8-15-17-12(2)13(3)18-15/h4-7,16H,8-10H2,1-3H3
InChIKeyLOVPVVYJKFJOPV-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine (CID 82102878) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine is Cc1ccc(CNCCc2nc(C)c(C)s2)cc1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is LOVPVVYJKFJOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-4-6-14(7-5-11)10-16-9-8-15-17-12(2)13(3)18-15/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 82102878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).