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

C10H19N3S3 — CID 115384185

IUPAC3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
SMILESCCCC(N)C(CC)Sc1nnc(SC)s1
InChIInChI=1S/C10H19N3S3/c1-4-6-7(11)8(5-2)15-10-13-12-9(14-3)16-10/h7-8H,4-6,11H2,1-3H3
InChIKeyJIISYEVBYQZXGU-UHFFFAOYSA-N
MW277.48 g/mol
LogP3.26
Rot. Bonds7

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

3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine (PubChem CID 115384185) has the molecular formula C10H19N3S3 and a molecular weight of 277.48 g/mol. Its IUPAC name is 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine.

Molecular Properties

Compound Name3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
PubChem CID115384185
Molecular FormulaC10H19N3S3
Molecular Weight277.48 g/mol
Exact Mass277.07
IUPAC Name3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
SMILESCCCC(N)C(CC)Sc1nnc(SC)s1
InChIInChI=1S/C10H19N3S3/c1-4-6-7(11)8(5-2)15-10-13-12-9(14-3)16-10/h7-8H,4-6,11H2,1-3H3
InChIKeyJIISYEVBYQZXGU-UHFFFAOYSA-N
XLogP3.26
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610056
N-ethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
CID 113298908
5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 113298607
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
CID 115384110
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine
CID 64633095
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 106808519
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
CID 20588041
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]heptan-4-amine
CID 64626434
3-(1-methyltetrazol-5-yl)sulfanylheptan-4-amine
CID 64620599
3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65041002
N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 115383697
3-pyrimidin-4-ylsulfanylheptan-4-amine
CID 64627649

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine?
The IUPAC name of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine (CID 115384185) is 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine.
What is the SMILES notation for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine?
The canonical SMILES for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine is CCCC(N)C(CC)Sc1nnc(SC)s1.
What is the InChIKey of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine?
The InChIKey is JIISYEVBYQZXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S3/c1-4-6-7(11)8(5-2)15-10-13-12-9(14-3)16-10/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine?
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine has a molecular weight of 277.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine is sourced from PubChem (CID 115384185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).