1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride

C5H8ClN3S — CID 132988518

IUPAC1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nncs2)CC1
InChIInChI=1S/C5H7N3S.ClH/c6-5(1-2-5)4-8-7-3-9-4;/h3H,1-2,6H2;1H
InChIKeyUNBCRMBKAIRCJH-UHFFFAOYSA-N
MW177.66 g/mol
LogP0.91
Rot. Bonds1

About 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride

1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride (PubChem CID 132988518) has the molecular formula C5H8ClN3S and a molecular weight of 177.66 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride
PubChem CID132988518
Molecular FormulaC5H8ClN3S
Molecular Weight177.66 g/mol
Exact Mass177.01
IUPAC Name1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nncs2)CC1
InChIInChI=1S/C5H7N3S.ClH/c6-5(1-2-5)4-8-7-3-9-4;/h3H,1-2,6H2;1H
InChIKeyUNBCRMBKAIRCJH-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-1,3,4-Thiadiazol-2-yl-cyclopropylamine
CID 67116043
1-1,3,4-Thiadiazol-2-yl-cyclopropylamine hydrobromide
CID 67390587
N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine
CID 88902358
2-(1,3,4-Thiadiazol-2-yl)propan-2-amine
CID 89115092
N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine
CID 90378790
N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine
CID 90378812
Hydron;1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;bromide
CID 134285302
1-(1,3,4-Thiadiazol-2-ylmethyl)cyclopropan-1-amine
CID 126970498
2-Methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine
CID 126970505
2-(1,3,4-Thiadiazol-2-yl)butan-2-amine
CID 130545496

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride (CID 132988518) is 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride is Cl.NC1(c2nncs2)CC1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride?
The InChIKey is UNBCRMBKAIRCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S.ClH/c6-5(1-2-5)4-8-7-3-9-4;/h3H,1-2,6H2;1H.
What are the key properties of 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride?
1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride has a molecular weight of 177.66 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 132988518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).