(2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride

C10H19ClN2OS — CID 119343810

IUPAC(2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
SMILESCC1CCN(C(=O)[C@H]2CSCN2)C1C.Cl
InChIInChI=1S/C10H18N2OS.ClH/c1-7-3-4-12(8(7)2)10(13)9-5-14-6-11-9;/h7-9,11H,3-6H2,1-2H3;1H/t7?,8?,9-;/m1./s1
InChIKeyAWCPNRXXMZSXRO-BTVWAASQSA-N
MW250.79 g/mol
LogP1.33
Rot. Bonds1

About (2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride

(2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride (PubChem CID 119343810) has the molecular formula C10H19ClN2OS and a molecular weight of 250.79 g/mol. Its IUPAC name is (2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
PubChem CID119343810
Molecular FormulaC10H19ClN2OS
Molecular Weight250.79 g/mol
Exact Mass250.09
IUPAC Name(2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
SMILESCC1CCN(C(=O)[C@H]2CSCN2)C1C.Cl
InChIInChI=1S/C10H18N2OS.ClH/c1-7-3-4-12(8(7)2)10(13)9-5-14-6-11-9;/h7-9,11H,3-6H2,1-2H3;1H/t7?,8?,9-;/m1./s1
InChIKeyAWCPNRXXMZSXRO-BTVWAASQSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.79
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119888302
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119958530
(2R)-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923109
(3,3-dimethylpyrrolidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322655
1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61158601
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 131101939
methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 60939361
(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119275333
(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119276151
cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 130944377
N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003078
(2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119318083

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The IUPAC name of (2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride (CID 119343810) is (2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride is CC1CCN(C(=O)[C@H]2CSCN2)C1C.Cl.
What is the InChIKey of (2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The InChIKey is AWCPNRXXMZSXRO-BTVWAASQSA-N. The full InChI is InChI=1S/C10H18N2OS.ClH/c1-7-3-4-12(8(7)2)10(13)9-5-14-6-11-9;/h7-9,11H,3-6H2,1-2H3;1H/t7?,8?,9-;/m1./s1.
What are the key properties of (2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
(2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride has a molecular weight of 250.79 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpyrrolidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119343810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).