3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine

C6H11N3S2 — CID 60915394

IUPAC3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
SMILESCC(CCN)Sc1nncs1
InChIInChI=1S/C6H11N3S2/c1-5(2-3-7)11-6-9-8-4-10-6/h4-5H,2-3,7H2,1H3
InChIKeyWIPGWNSTIGICSX-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.37
Rot. Bonds4

About 3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine

3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine (PubChem CID 60915394) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
PubChem CID60915394
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC Name3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
SMILESCC(CCN)Sc1nncs1
InChIInChI=1S/C6H11N3S2/c1-5(2-3-7)11-6-9-8-4-10-6/h4-5H,2-3,7H2,1H3
InChIKeyWIPGWNSTIGICSX-UHFFFAOYSA-N
XLogP1.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine (CID 60915394) is 3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine is CC(CCN)Sc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The InChIKey is WIPGWNSTIGICSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S2/c1-5(2-3-7)11-6-9-8-4-10-6/h4-5H,2-3,7H2,1H3.
What are the key properties of 3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine has a molecular weight of 189.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine is sourced from PubChem (CID 60915394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).