7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H20N2OS2 — CID 79237018

IUPAC7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2cc(OC)ccc2CCC1Sc1nc(C)cs1
InChIInChI=1S/C16H20N2OS2/c1-10-9-20-16(18-10)21-14-7-5-11-4-6-12(19-3)8-13(11)15(14)17-2/h4,6,8-9,14-15,17H,5,7H2,1-3H3
InChIKeyLXRYMVRIAHMWLJ-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.83
Rot. Bonds4

About 7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79237018) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79237018
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2cc(OC)ccc2CCC1Sc1nc(C)cs1
InChIInChI=1S/C16H20N2OS2/c1-10-9-20-16(18-10)21-14-7-5-11-4-6-12(19-3)8-13(11)15(14)17-2/h4,6,8-9,14-15,17H,5,7H2,1-3H3
InChIKeyLXRYMVRIAHMWLJ-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

7-methoxy-N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236526
7-methoxy-N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236733
3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol
CID 107772532
7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248477
N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,4-dihydro-2H-chromen-4-amine
CID 64647841
7-methoxy-N-methyl-2-(2-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763687
6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 79370352
6-methoxy-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64621382
7-methoxy-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237114
2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247695
2-N-(cyclopropylmethyl)-7-methoxy-1-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79247986
N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927379

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79237018) is 7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2cc(OC)ccc2CCC1Sc1nc(C)cs1.
What is the InChIKey of 7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LXRYMVRIAHMWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-10-9-20-16(18-10)21-14-7-5-11-4-6-12(19-3)8-13(11)15(14)17-2/h4,6,8-9,14-15,17H,5,7H2,1-3H3.
What are the key properties of 7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 320.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79237018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).