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

C6H11N3S2 — CID 64650373

IUPAC4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
SMILESCC(N)CCSc1nncs1
InChIInChI=1S/C6H11N3S2/c1-5(7)2-3-10-6-9-8-4-11-6/h4-5H,2-3,7H2,1H3
InChIKeyDGBPIBPUGHJCIT-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.37
Rot. Bonds4

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

4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine (PubChem CID 64650373) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
PubChem CID64650373
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC Name4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
SMILESCC(N)CCSc1nncs1
InChIInChI=1S/C6H11N3S2/c1-5(7)2-3-10-6-9-8-4-11-6/h4-5H,2-3,7H2,1H3
InChIKeyDGBPIBPUGHJCIT-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 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine?
The IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine (CID 64650373) is 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine.
What is the SMILES notation for 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine?
The canonical SMILES for 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine is CC(N)CCSc1nncs1.
What is the InChIKey of 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine?
The InChIKey is DGBPIBPUGHJCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S2/c1-5(7)2-3-10-6-9-8-4-11-6/h4-5H,2-3,7H2,1H3.
What are the key properties of 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine?
4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-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 4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 64650373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).