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

C14H18N2S — CID 79763407

IUPACN-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ccccc1CCNC(C)c1nccs1
InChIInChI=1S/C14H18N2S/c1-11-5-3-4-6-13(11)7-8-15-12(2)14-16-9-10-17-14/h3-6,9-10,12,15H,7-8H2,1-2H3
InChIKeyKEBNTWBMXKQCMY-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.34
Rot. Bonds5

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

N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 79763407) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID79763407
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ccccc1CCNC(C)c1nccs1
InChIInChI=1S/C14H18N2S/c1-11-5-3-4-6-13(11)7-8-15-12(2)14-16-9-10-17-14/h3-6,9-10,12,15H,7-8H2,1-2H3
InChIKeyKEBNTWBMXKQCMY-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 115895004
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 112742116
1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763036
N-[(3-fluoro-4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63867557
2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993290
2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112606910
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 97312027
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 113348121

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 79763407) is N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine is Cc1ccccc1CCNC(C)c1nccs1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is KEBNTWBMXKQCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-5-3-4-6-13(11)7-8-15-12(2)14-16-9-10-17-14/h3-6,9-10,12,15H,7-8H2,1-2H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 79763407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).