phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride

C10H12ClNOS — CID 138398651

IUPACphenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)C1NCCS1
InChIInChI=1S/C10H11NOS.ClH/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8;/h1-5,10-11H,6-7H2;1H
InChIKeyMGDSCKXLECXVPV-UHFFFAOYSA-N
MW229.73 g/mol
LogP1.95
Rot. Bonds2

About phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride

phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride (PubChem CID 138398651) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Namephenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride
PubChem CID138398651
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Namephenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)C1NCCS1
InChIInChI=1S/C10H11NOS.ClH/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8;/h1-5,10-11H,6-7H2;1H
InChIKeyMGDSCKXLECXVPV-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-2-yl(phenyl)methanone
CID 84651225
ethane;1,3-thiazolidine-2-carboxylic acid
CID 144912581
bis(1,3-thiazolidin-2-yl)methanone;iron
CID 175441879
2-phenylthiomorpholine-3-carboxylic acid
CID 82279523
2-benzoylcyclopentane-1,3-dione
CID 15625879
1,3-oxazolidin-2-yl(phenyl)methanone
CID 154118649
phenyl(piperidin-2-yl)methanone
CID 19772085
benzyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-1,3-thiazolidin-2-yl]butan-2-yl]carbamate
CID 134924625
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
1,3-oxazinan-2-yl(phenyl)methanone
CID 121217862
(3S)-3-benzoylpiperazin-2-one
CID 29320826

Frequently Asked Questions

What is the IUPAC name of phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride?
The IUPAC name of phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride (CID 138398651) is phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride.
What is the SMILES notation for phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride?
The canonical SMILES for phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride is Cl.O=C(c1ccccc1)C1NCCS1.
What is the InChIKey of phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride?
The InChIKey is MGDSCKXLECXVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS.ClH/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8;/h1-5,10-11H,6-7H2;1H.
What are the key properties of phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride?
phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride is sourced from PubChem (CID 138398651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).