N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C14H17N3S3 — CID 115384124

IUPACN-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Sc1nnc(SC)s1
InChIInChI=1S/C14H17N3S3/c1-15-12-10-6-4-3-5-9(10)7-8-11(12)19-14-17-16-13(18-2)20-14/h3-6,11-12,15H,7-8H2,1-2H3
InChIKeyIRSQXFNEULHPHZ-UHFFFAOYSA-N
MW323.51 g/mol
LogP3.63
Rot. Bonds4

About N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115384124) has the molecular formula C14H17N3S3 and a molecular weight of 323.51 g/mol. Its IUPAC name is N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115384124
Molecular FormulaC14H17N3S3
Molecular Weight323.51 g/mol
Exact Mass323.06
IUPAC NameN-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Sc1nnc(SC)s1
InChIInChI=1S/C14H17N3S3/c1-15-12-10-6-4-3-5-9(10)7-8-11(12)19-14-17-16-13(18-2)20-14/h3-6,11-12,15H,7-8H2,1-2H3
InChIKeyIRSQXFNEULHPHZ-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64650430
N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626851
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64628444
2-(2,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64613079
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107784280
2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64632008
N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64627349
N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine
CID 115384192
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]propan-1-ol
CID 95936420
N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64648417
3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]propan-1-ol
CID 95936419

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115384124) is N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1Sc1nnc(SC)s1.
What is the InChIKey of N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is IRSQXFNEULHPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S3/c1-15-12-10-6-4-3-5-9(10)7-8-11(12)19-14-17-16-13(18-2)20-14/h3-6,11-12,15H,7-8H2,1-2H3.
What are the key properties of N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 323.51 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115384124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).