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

C17H18N2OS — CID 112730045

IUPAC1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2csc(C)n2)c2ccccc12
InChIInChI=1S/C17H18N2OS/c1-12-19-14(11-21-12)10-18-9-13-7-8-17(20-2)16-6-4-3-5-15(13)16/h3-8,11,18H,9-10H2,1-2H3
InChIKeySKXFFQKDNZIGEM-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.90
Rot. Bonds5

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

1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 112730045) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID112730045
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2csc(C)n2)c2ccccc12
InChIInChI=1S/C17H18N2OS/c1-12-19-14(11-21-12)10-18-9-13-7-8-17(20-2)16-6-4-3-5-15(13)16/h3-8,11,18H,9-10H2,1-2H3
InChIKeySKXFFQKDNZIGEM-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine
CID 63850720
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 112702922
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834065
1-(3-chloro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65021948
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 60960559
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 60960448
3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26282696
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60961374
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 112730045) is 1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is COc1ccc(CNCc2csc(C)n2)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is SKXFFQKDNZIGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-19-14(11-21-12)10-18-9-13-7-8-17(20-2)16-6-4-3-5-15(13)16/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 298.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 112730045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).