7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine

C15H18N2OS — CID 79824660

IUPAC7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(Cc1nccs1)CCC2
InChIInChI=1S/C15H18N2OS/c1-18-12-5-4-11-3-2-6-15(16,13(11)9-12)10-14-17-7-8-19-14/h4-5,7-9H,2-3,6,10,16H2,1H3
InChIKeyZHLHCBKTROQLFD-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.88
Rot. Bonds3

About 7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine

7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 79824660) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID79824660
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(Cc1nccs1)CCC2
InChIInChI=1S/C15H18N2OS/c1-18-12-5-4-11-3-2-6-15(16,13(11)9-12)10-14-17-7-8-19-14/h4-5,7-9H,2-3,6,10,16H2,1H3
InChIKeyZHLHCBKTROQLFD-UHFFFAOYSA-N
XLogP2.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
7-methoxy-1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 79233838
1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233836
7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79241254
1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 107359302
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine
CID 79374362
1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79374434
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766
6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 79366504

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine (CID 79824660) is 7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc2c(c1)C(N)(Cc1nccs1)CCC2.
What is the InChIKey of 7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is ZHLHCBKTROQLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-18-12-5-4-11-3-2-6-15(16,13(11)9-12)10-14-17-7-8-19-14/h4-5,7-9H,2-3,6,10,16H2,1H3.
What are the key properties of 7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 274.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 79824660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).