1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine

C16H16N2OS — CID 61281066

IUPAC1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2c(OC)ccc3ccccc23)n1
InChIInChI=1S/C16H16N2OS/c1-17-9-12-10-20-16(18-12)15-13-6-4-3-5-11(13)7-8-14(15)19-2/h3-8,10,17H,9H2,1-2H3
InChIKeyPEAYWSLXZQICIN-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.69
Rot. Bonds4

About 1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 61281066) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID61281066
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2c(OC)ccc3ccccc23)n1
InChIInChI=1S/C16H16N2OS/c1-17-9-12-10-20-16(18-12)15-13-6-4-3-5-11(13)7-8-14(15)19-2/h3-8,10,17H,9H2,1-2H3
InChIKeyPEAYWSLXZQICIN-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61282596
1-[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868245
1-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61281844
2-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980416
barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
CID 10952722
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine
CID 137013305
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 112730045
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 61281066) is 1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(-c2c(OC)ccc3ccccc23)n1.
What is the InChIKey of 1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is PEAYWSLXZQICIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-17-9-12-10-20-16(18-12)15-13-6-4-3-5-11(13)7-8-14(15)19-2/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 61281066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).