N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine

C18H20N2S — CID 103729895

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine
SMILESCCc1cnc(CNC(C)c2cccc3ccccc23)s1
InChIInChI=1S/C18H20N2S/c1-3-15-11-20-18(21-15)12-19-13(2)16-10-6-8-14-7-4-5-9-17(14)16/h4-11,13,19H,3,12H2,1-2H3
InChIKeyAEJHKQYFMWXBEP-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.71
Rot. Bonds5

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 103729895) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID103729895
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine
SMILESCCc1cnc(CNC(C)c2cccc3ccccc23)s1
InChIInChI=1S/C18H20N2S/c1-3-15-11-20-18(21-15)12-19-13(2)16-10-6-8-14-7-4-5-9-17(14)16/h4-11,13,19H,3,12H2,1-2H3
InChIKeyAEJHKQYFMWXBEP-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787028
1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787022
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 115972418
(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564
1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787139
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine (CID 103729895) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine is CCc1cnc(CNC(C)c2cccc3ccccc23)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is AEJHKQYFMWXBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-15-11-20-18(21-15)12-19-13(2)16-10-6-8-14-7-4-5-9-17(14)16/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 296.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 103729895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).