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

C8H12BrN3S — CID 64687683

IUPAC5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(Nc2nnc(Br)s2)CCCC1
InChIInChI=1S/C8H12BrN3S/c1-8(4-2-3-5-8)10-7-12-11-6(9)13-7/h2-5H2,1H3,(H,10,12)
InChIKeyNGSYSTWLQGWQBQ-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.05
Rot. Bonds2

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

5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64687683) has the molecular formula C8H12BrN3S and a molecular weight of 262.18 g/mol. Its IUPAC name is 5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
PubChem CID64687683
Molecular FormulaC8H12BrN3S
Molecular Weight262.18 g/mol
Exact Mass260.99
IUPAC Name5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(Nc2nnc(Br)s2)CCCC1
InChIInChI=1S/C8H12BrN3S/c1-8(4-2-3-5-8)10-7-12-11-6(9)13-7/h2-5H2,1H3,(H,10,12)
InChIKeyNGSYSTWLQGWQBQ-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine (CID 64687683) is 5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine is CC1(Nc2nnc(Br)s2)CCCC1.
What is the InChIKey of 5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NGSYSTWLQGWQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3S/c1-8(4-2-3-5-8)10-7-12-11-6(9)13-7/h2-5H2,1H3,(H,10,12).
What are the key properties of 5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 262.18 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64687683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).