[1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol

C8H12BrN3OS — CID 102784107

IUPAC[1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nnc(Br)s2)C1CO
InChIInChI=1S/C8H12BrN3OS/c1-5-2-3-12(6(5)4-13)8-11-10-7(9)14-8/h5-6,13H,2-4H2,1H3
InChIKeyXGKSMCXJCUAMNQ-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.51
Rot. Bonds2

About [1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102784107) has the molecular formula C8H12BrN3OS and a molecular weight of 278.18 g/mol. Its IUPAC name is [1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102784107
Molecular FormulaC8H12BrN3OS
Molecular Weight278.18 g/mol
Exact Mass276.99
IUPAC Name[1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nnc(Br)s2)C1CO
InChIInChI=1S/C8H12BrN3OS/c1-5-2-3-12(6(5)4-13)8-11-10-7(9)14-8/h5-6,13H,2-4H2,1H3
InChIKeyXGKSMCXJCUAMNQ-UHFFFAOYSA-N
XLogP1.51
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102784107) is [1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2nnc(Br)s2)C1CO.
What is the InChIKey of [1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is XGKSMCXJCUAMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3OS/c1-5-2-3-12(6(5)4-13)8-11-10-7(9)14-8/h5-6,13H,2-4H2,1H3.
What are the key properties of [1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 278.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102784107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).