(2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride

C8H11BrClNS — CID 171197221

IUPAC(2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride
SMILESCc1cc([C@H]2CCN2)sc1Br.Cl
InChIInChI=1S/C8H10BrNS.ClH/c1-5-4-7(11-8(5)9)6-2-3-10-6;/h4,6,10H,2-3H2,1H3;1H/t6-;/m1./s1
InChIKeyZEIWNVGDAFWIJA-FYZOBXCZSA-N
MW268.61 g/mol
LogP3.28
Rot. Bonds1

About (2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride

(2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride (PubChem CID 171197221) has the molecular formula C8H11BrClNS and a molecular weight of 268.61 g/mol. Its IUPAC name is (2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride
PubChem CID171197221
Molecular FormulaC8H11BrClNS
Molecular Weight268.61 g/mol
Exact Mass266.95
IUPAC Name(2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride
SMILESCc1cc([C@H]2CCN2)sc1Br.Cl
InChIInChI=1S/C8H10BrNS.ClH/c1-5-4-7(11-8(5)9)6-2-3-10-6;/h4,6,10H,2-3H2,1H3;1H/t6-;/m1./s1
InChIKeyZEIWNVGDAFWIJA-FYZOBXCZSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.61
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride?
The IUPAC name of (2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride (CID 171197221) is (2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride?
The canonical SMILES for (2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride is Cc1cc([C@H]2CCN2)sc1Br.Cl.
What is the InChIKey of (2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride?
The InChIKey is ZEIWNVGDAFWIJA-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H10BrNS.ClH/c1-5-4-7(11-8(5)9)6-2-3-10-6;/h4,6,10H,2-3H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride?
(2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride has a molecular weight of 268.61 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride is sourced from PubChem (CID 171197221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).