5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine

C7H10BrN3S — CID 64624511

IUPAC5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(NCC2CCC2)s1
InChIInChI=1S/C7H10BrN3S/c8-6-10-11-7(12-6)9-4-5-2-1-3-5/h5H,1-4H2,(H,9,11)
InChIKeyQELFKXKHGBULRF-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.51
Rot. Bonds3

About 5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64624511) has the molecular formula C7H10BrN3S and a molecular weight of 248.15 g/mol. Its IUPAC name is 5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID64624511
Molecular FormulaC7H10BrN3S
Molecular Weight248.15 g/mol
Exact Mass246.98
IUPAC Name5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(NCC2CCC2)s1
InChIInChI=1S/C7H10BrN3S/c8-6-10-11-7(12-6)9-4-5-2-1-3-5/h5H,1-4H2,(H,9,11)
InChIKeyQELFKXKHGBULRF-UHFFFAOYSA-N
XLogP2.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine (CID 64624511) is 5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine is Brc1nnc(NCC2CCC2)s1.
What is the InChIKey of 5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QELFKXKHGBULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3S/c8-6-10-11-7(12-6)9-4-5-2-1-3-5/h5H,1-4H2,(H,9,11).
What are the key properties of 5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 248.15 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64624511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).