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

C5H8BrN3S — CID 67390587

IUPAC1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide
SMILESBr.NC1(c2nncs2)CC1
InChIInChI=1S/C5H7N3S.BrH/c6-5(1-2-5)4-8-7-3-9-4;/h3H,1-2,6H2;1H
InChIKeySUVUHMKFVHYEFO-UHFFFAOYSA-N
MW222.11 g/mol
LogP1.06
Rot. Bonds1

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

1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide (PubChem CID 67390587) has the molecular formula C5H8BrN3S and a molecular weight of 222.11 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide
PubChem CID67390587
Molecular FormulaC5H8BrN3S
Molecular Weight222.11 g/mol
Exact Mass220.96
IUPAC Name1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide
SMILESBr.NC1(c2nncs2)CC1
InChIInChI=1S/C5H7N3S.BrH/c6-5(1-2-5)4-8-7-3-9-4;/h3H,1-2,6H2;1H
InChIKeySUVUHMKFVHYEFO-UHFFFAOYSA-N
XLogP1.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide?
The IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide (CID 67390587) is 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide is Br.NC1(c2nncs2)CC1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide?
The InChIKey is SUVUHMKFVHYEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S.BrH/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;hydrobromide?
1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;hydrobromide has a molecular weight of 222.11 g/mol, XLogP of 1.06, 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;hydrobromide is sourced from PubChem (CID 67390587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).