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

C5H8ClN3S — CID 122163165

IUPAC5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1nnc(C2CC2)s1
InChIInChI=1S/C5H7N3S.ClH/c6-5-8-7-4(9-5)3-1-2-3;/h3H,1-2H2,(H2,6,8);1H
InChIKeyDXTGKIAQFCVREC-UHFFFAOYSA-N
MW177.66 g/mol
LogP1.42
Rot. Bonds1

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

5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 122163165) has the molecular formula C5H8ClN3S and a molecular weight of 177.66 g/mol. Its IUPAC name is 5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID122163165
Molecular FormulaC5H8ClN3S
Molecular Weight177.66 g/mol
Exact Mass177.01
IUPAC Name5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1nnc(C2CC2)s1
InChIInChI=1S/C5H7N3S.ClH/c6-5-8-7-4(9-5)3-1-2-3;/h3H,1-2H2,(H2,6,8);1H
InChIKeyDXTGKIAQFCVREC-UHFFFAOYSA-N
XLogP1.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of 5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride (CID 122163165) is 5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride is Cl.Nc1nnc(C2CC2)s1.
What is the InChIKey of 5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is DXTGKIAQFCVREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S.ClH/c6-5-8-7-4(9-5)3-1-2-3;/h3H,1-2H2,(H2,6,8);1H.
What are the key properties of 5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride?
5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 177.66 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 122163165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).