N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine

C5H6BrN3S — CID 88902358

IUPACN-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine
SMILESBrNC1(c2nncs2)CC1
InChIInChI=1S/C5H6BrN3S/c6-9-5(1-2-5)4-8-7-3-10-4/h3,9H,1-2H2
InChIKeyJASBCKGYMRBPEM-UHFFFAOYSA-N
MW220.09 g/mol
LogP1.43
Rot. Bonds2

About N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine

N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine (PubChem CID 88902358) has the molecular formula C5H6BrN3S and a molecular weight of 220.09 g/mol. Its IUPAC name is N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine
PubChem CID88902358
Molecular FormulaC5H6BrN3S
Molecular Weight220.09 g/mol
Exact Mass218.95
IUPAC NameN-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine
SMILESBrNC1(c2nncs2)CC1
InChIInChI=1S/C5H6BrN3S/c6-9-5(1-2-5)4-8-7-3-10-4/h3,9H,1-2H2
InChIKeyJASBCKGYMRBPEM-UHFFFAOYSA-N
XLogP1.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine?
The IUPAC name of N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine (CID 88902358) is N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine.
What is the SMILES notation for N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine?
The canonical SMILES for N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine is BrNC1(c2nncs2)CC1.
What is the InChIKey of N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine?
The InChIKey is JASBCKGYMRBPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3S/c6-9-5(1-2-5)4-8-7-3-10-4/h3,9H,1-2H2.
What are the key properties of N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine?
N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine has a molecular weight of 220.09 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 88902358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).