3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione

C14H17N3S2 — CID 42943995

IUPAC3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione
SMILESCN(Cn1ncsc1=S)C1CCCc2ccccc21
InChIInChI=1S/C14H17N3S2/c1-16(10-17-14(18)19-9-15-17)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13H,4,6,8,10H2,1H3
InChIKeyDPCGBFDVEXTGOF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.64
Rot. Bonds3

About 3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione

3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione (PubChem CID 42943995) has the molecular formula C14H17N3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione
PubChem CID42943995
Molecular FormulaC14H17N3S2
Molecular Weight291.44 g/mol
Exact Mass291.09
IUPAC Name3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione
SMILESCN(Cn1ncsc1=S)C1CCCc2ccccc21
InChIInChI=1S/C14H17N3S2/c1-16(10-17-14(18)19-9-15-17)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13H,4,6,8,10H2,1H3
InChIKeyDPCGBFDVEXTGOF-UHFFFAOYSA-N
XLogP3.64
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione
CID 42937067
2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 92863533
4-benzyl-5-cyclopropyl-2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,2,4-triazole-3-thione
CID 42937061
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,2,4-triazole-3-thione
CID 42937060
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
(1R)-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 59423288
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole-3-thione
CID 24650772
2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]phthalazin-1-one
CID 36503075
N-cyclopropyl-N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]propanamide
CID 24650892
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione
CID 24650861
N-[(4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134792918
N-methyl-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134793387

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione?
The IUPAC name of 3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione (CID 42943995) is 3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione is CN(Cn1ncsc1=S)C1CCCc2ccccc21.
What is the InChIKey of 3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione?
The InChIKey is DPCGBFDVEXTGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-16(10-17-14(18)19-9-15-17)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13H,4,6,8,10H2,1H3.
What are the key properties of 3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione?
3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione has a molecular weight of 291.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 42943995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).