pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride

C8H15ClN2OS — CID 47002809

IUPACpyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCN1)N1CCCC1
InChIInChI=1S/C8H14N2OS.ClH/c11-8(7-5-12-6-9-7)10-3-1-2-4-10;/h7,9H,1-6H2;1H
InChIKeyBMUOTNCFONCBNU-UHFFFAOYSA-N
MW222.74 g/mol
LogP0.69
Rot. Bonds1

About pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride

pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride (PubChem CID 47002809) has the molecular formula C8H15ClN2OS and a molecular weight of 222.74 g/mol. Its IUPAC name is pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
PubChem CID47002809
Molecular FormulaC8H15ClN2OS
Molecular Weight222.74 g/mol
Exact Mass222.06
IUPAC Namepyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCN1)N1CCCC1
InChIInChI=1S/C8H14N2OS.ClH/c11-8(7-5-12-6-9-7)10-3-1-2-4-10;/h7,9H,1-6H2;1H
InChIKeyBMUOTNCFONCBNU-UHFFFAOYSA-N
XLogP0.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.74
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The IUPAC name of pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride (CID 47002809) is pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The canonical SMILES for pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride is Cl.O=C(C1CSCN1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The InChIKey is BMUOTNCFONCBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS.ClH/c11-8(7-5-12-6-9-7)10-3-1-2-4-10;/h7,9H,1-6H2;1H.
What are the key properties of pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride?
pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride has a molecular weight of 222.74 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 47002809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).