N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine

C24H24N2OS — CID 112806718

IUPACN-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine
SMILESCc1ccc(OCc2nc(CNC(C)c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C24H24N2OS/c1-17-7-11-23(12-8-17)27-15-24-26-22(16-28-24)14-25-18(2)20-10-9-19-5-3-4-6-21(19)13-20/h3-13,16,18,25H,14-15H2,1-2H3
InChIKeyOMYAQRVLAWUWIC-UHFFFAOYSA-N
MW388.54 g/mol
LogP6.03
Rot. Bonds7

About N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine

N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine (PubChem CID 112806718) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine
PubChem CID112806718
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC NameN-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine
SMILESCc1ccc(OCc2nc(CNC(C)c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C24H24N2OS/c1-17-7-11-23(12-8-17)27-15-24-26-22(16-28-24)14-25-18(2)20-10-9-19-5-3-4-6-21(19)13-20/h3-13,16,18,25H,14-15H2,1-2H3
InChIKeyOMYAQRVLAWUWIC-UHFFFAOYSA-N
XLogP6.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 24714844
N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193815
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 16572732
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
(2R)-3-methyl-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]butanoic acid
CID 120511103
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine
CID 103729858
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pentan-3-amine
CID 119113948
3-indol-1-yl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 112806723
N-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193824
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
N-[1-(5-methylfuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51266458

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine?
The IUPAC name of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine (CID 112806718) is N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine.
What is the SMILES notation for N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine?
The canonical SMILES for N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine is Cc1ccc(OCc2nc(CNC(C)c3ccc4ccccc4c3)cs2)cc1.
What is the InChIKey of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine?
The InChIKey is OMYAQRVLAWUWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-17-7-11-23(12-8-17)27-15-24-26-22(16-28-24)14-25-18(2)20-10-9-19-5-3-4-6-21(19)13-20/h3-13,16,18,25H,14-15H2,1-2H3.
What are the key properties of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine?
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine has a molecular weight of 388.54 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 112806718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).