[3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C12H23N3OS — CID 63166761

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCCN(CC)C1CCN(C(=O)C2CSCN2)C1
InChIInChI=1S/C12H23N3OS/c1-3-14(4-2)10-5-6-15(7-10)12(16)11-8-17-9-13-11/h10-11,13H,3-9H2,1-2H3
InChIKeyQTXJGAJEDGITRS-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.59
Rot. Bonds4

About [3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 63166761) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID63166761
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCCN(CC)C1CCN(C(=O)C2CSCN2)C1
InChIInChI=1S/C12H23N3OS/c1-3-14(4-2)10-5-6-15(7-10)12(16)11-8-17-9-13-11/h10-11,13H,3-9H2,1-2H3
InChIKeyQTXJGAJEDGITRS-UHFFFAOYSA-N
XLogP0.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119958530
[3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 63524790
[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 43590441
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 131101939
1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 110799962
(2-methylthiomorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119318083
(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119275333
[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322524
N-propyl-1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxamide
CID 119278298
4-[3-(diethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63782669
N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride
CID 119336893
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 63166761) is [3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is CCN(CC)C1CCN(C(=O)C2CSCN2)C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is QTXJGAJEDGITRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-3-14(4-2)10-5-6-15(7-10)12(16)11-8-17-9-13-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 257.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 63166761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).