5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride

C6H12ClN3S — CID 135307680

IUPAC5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCCCCc1nnc(N)s1.Cl
InChIInChI=1S/C6H11N3S.ClH/c1-2-3-4-5-8-9-6(7)10-5;/h2-4H2,1H3,(H2,7,9);1H
InChIKeyRUYRKSFOYQXDQL-UHFFFAOYSA-N
MW193.70 g/mol
LogP1.88
Rot. Bonds3

About 5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride

5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 135307680) has the molecular formula C6H12ClN3S and a molecular weight of 193.70 g/mol. Its IUPAC name is 5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID135307680
Molecular FormulaC6H12ClN3S
Molecular Weight193.70 g/mol
Exact Mass193.04
IUPAC Name5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCCCCc1nnc(N)s1.Cl
InChIInChI=1S/C6H11N3S.ClH/c1-2-3-4-5-8-9-6(7)10-5;/h2-4H2,1H3,(H2,7,9);1H
InChIKeyRUYRKSFOYQXDQL-UHFFFAOYSA-N
XLogP1.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.70
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of 5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride (CID 135307680) is 5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride is CCCCc1nnc(N)s1.Cl.
What is the InChIKey of 5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is RUYRKSFOYQXDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S.ClH/c1-2-3-4-5-8-9-6(7)10-5;/h2-4H2,1H3,(H2,7,9);1H.
What are the key properties of 5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride?
5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 193.70 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 135307680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).