[(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride

C8H15ClN2OS — CID 70088371

IUPAC[(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CCSC1
InChIInChI=1S/C8H14N2OS.ClH/c11-8(7-2-1-3-9-7)10-4-5-12-6-10;/h7,9H,1-6H2;1H/t7-;/m0./s1
InChIKeyAFKKVNCJAIOJKE-FJXQXJEOSA-N
MW222.74 g/mol
LogP0.69
Rot. Bonds1

About [(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride

[(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride (PubChem CID 70088371) has the molecular formula C8H15ClN2OS and a molecular weight of 222.74 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride
PubChem CID70088371
Molecular FormulaC8H15ClN2OS
Molecular Weight222.74 g/mol
Exact Mass222.06
IUPAC Name[(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CCSC1
InChIInChI=1S/C8H14N2OS.ClH/c11-8(7-2-1-3-9-7)10-4-5-12-6-10;/h7,9H,1-6H2;1H/t7-;/m0./s1
InChIKeyAFKKVNCJAIOJKE-FJXQXJEOSA-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

Analyze [(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 66548475
[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415
azepan-2-yl(thiomorpholin-4-yl)methanone
CID 64563385
1,2,5-dithiazepan-5-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 131153732
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
azetidin-2-yl(1,4-thiazepan-4-yl)methanone
CID 130767550
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119326390
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carbaldehyde;hydrochloride
CID 175528079

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride (CID 70088371) is [(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride is Cl.O=C([C@@H]1CCCN1)N1CCSC1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride?
The InChIKey is AFKKVNCJAIOJKE-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H14N2OS.ClH/c11-8(7-2-1-3-9-7)10-4-5-12-6-10;/h7,9H,1-6H2;1H/t7-;/m0./s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride?
[(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-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 [(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 70088371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).