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

C15H20N2S — CID 78996318

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1nc(C)c(CNCCc2ccccc2C)s1
InChIInChI=1S/C15H20N2S/c1-11-6-4-5-7-14(11)8-9-16-10-15-12(2)17-13(3)18-15/h4-7,16H,8-10H2,1-3H3
InChIKeyLSYNCWLIDBUTIL-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.40
Rot. Bonds5

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 78996318) 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]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID78996318
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1nc(C)c(CNCCc2ccccc2C)s1
InChIInChI=1S/C15H20N2S/c1-11-6-4-5-7-14(11)8-9-16-10-15-12(2)17-13(3)18-15/h4-7,16H,8-10H2,1-3H3
InChIKeyLSYNCWLIDBUTIL-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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Related Compounds

2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79032805
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine
CID 64541630
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
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-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763664
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395688
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 82732413
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069766

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine (CID 78996318) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine is Cc1nc(C)c(CNCCc2ccccc2C)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is LSYNCWLIDBUTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-6-4-5-7-14(11)8-9-16-10-15-12(2)17-13(3)18-15/h4-7,16H,8-10H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)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 N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 78996318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).