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

C14H18N2S — CID 112697036

IUPACN-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2ccccc2C)s1
InChIInChI=1S/C14H18N2S/c1-10-6-4-5-7-13(10)9-15-12(3)14-16-8-11(2)17-14/h4-8,12,15H,9H2,1-3H3
InChIKeyNLJPCZUORAKUGR-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.61
Rot. Bonds4

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

N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 112697036) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID112697036
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2ccccc2C)s1
InChIInChI=1S/C14H18N2S/c1-10-6-4-5-7-13(10)9-15-12(3)14-16-8-11(2)17-14/h4-8,12,15H,9H2,1-3H3
InChIKeyNLJPCZUORAKUGR-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115908048
N-[(2,5-difluorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680147
2-[3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propyl]aniline
CID 107274588
N-[(4-bromo-2-chlorophenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 113251449
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112696986
N-[(3-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 113344561
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680127
1-(5-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115680118
N-[[4-(methoxymethyl)phenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680140
N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680207
N-(2-methylsulfanylethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 104579941
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112696993

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 112697036) is N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is Cc1cnc(C(C)NCc2ccccc2C)s1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is NLJPCZUORAKUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-6-4-5-7-13(10)9-15-12(3)14-16-8-11(2)17-14/h4-8,12,15H,9H2,1-3H3.
What are the key properties of N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 112697036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).