4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C13H15N3S2 — CID 113306168

IUPAC4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(Sc2ncns2)C(N)c2ccccc21
InChIInChI=1S/C13H15N3S2/c1-8-6-11(17-13-15-7-16-18-13)12(14)10-5-3-2-4-9(8)10/h2-5,7-8,11-12H,6,14H2,1H3
InChIKeyMCNYEFHRHIJEAY-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.21
Rot. Bonds2

About 4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 113306168) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID113306168
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC Name4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(Sc2ncns2)C(N)c2ccccc21
InChIInChI=1S/C13H15N3S2/c1-8-6-11(17-13-15-7-16-18-13)12(14)10-5-3-2-4-9(8)10/h2-5,7-8,11-12H,6,14H2,1H3
InChIKeyMCNYEFHRHIJEAY-UHFFFAOYSA-N
XLogP3.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,4-Thiadiazol-5-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 80432384
2-(1,2,4-Thiadiazol-5-ylsulfanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107525458
1-(4-Fluorophenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-amine
CID 107525462
2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64648743
N-ethyl-1-naphthalen-2-yl-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine
CID 80424841
N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 80425123
3-methyl-1-phenyl-N-propyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-amine
CID 80425201
N-ethyl-1-naphthalen-1-yl-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine
CID 80425203
1-(2-Methylphenyl)-1-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-amine
CID 80426293
1-Phenyl-1-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-amine
CID 80426296
2-(2-Methylphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine
CID 80426317
1-(2-Methylphenyl)-1-(1,2,4-thiadiazol-5-ylsulfanyl)butan-2-amine
CID 80426374

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 113306168) is 4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CC(Sc2ncns2)C(N)c2ccccc21.
What is the InChIKey of 4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MCNYEFHRHIJEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-8-6-11(17-13-15-7-16-18-13)12(14)10-5-3-2-4-9(8)10/h2-5,7-8,11-12H,6,14H2,1H3.
What are the key properties of 4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 277.42 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,2,4-thiadiazol-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 113306168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).