5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine

C6H11N3S3 — CID 115647521

IUPAC5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCSCCCSc1nnc(N)s1
InChIInChI=1S/C6H11N3S3/c1-10-3-2-4-11-6-9-8-5(7)12-6/h2-4H2,1H3,(H2,7,8)
InChIKeyQMLZOGWYYYAXGW-UHFFFAOYSA-N
MW221.38 g/mol
LogP1.97
Rot. Bonds5

About 5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine

5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 115647521) has the molecular formula C6H11N3S3 and a molecular weight of 221.38 g/mol. Its IUPAC name is 5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID115647521
Molecular FormulaC6H11N3S3
Molecular Weight221.38 g/mol
Exact Mass221.01
IUPAC Name5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCSCCCSc1nnc(N)s1
InChIInChI=1S/C6H11N3S3/c1-10-3-2-4-11-6-9-8-5(7)12-6/h2-4H2,1H3,(H2,7,8)
InChIKeyQMLZOGWYYYAXGW-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 18777792
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium
CID 7107534
5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 13142198
5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 115626683
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpentanenitrile
CID 65256230
5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 6494481
5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2872826
5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 83478435
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide
CID 24659819
2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanol
CID 61071093
5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 81093628

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 115647521) is 5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine is CSCCCSc1nnc(N)s1.
What is the InChIKey of 5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QMLZOGWYYYAXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S3/c1-10-3-2-4-11-6-9-8-5(7)12-6/h2-4H2,1H3,(H2,7,8).
What are the key properties of 5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 221.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115647521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).