cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone

C15H24N2O2S — CID 42744639

IUPACcyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(C1CSCN1C(=O)C1CCCCC1)N1CCCC1
InChIInChI=1S/C15H24N2O2S/c18-14(12-6-2-1-3-7-12)17-11-20-10-13(17)15(19)16-8-4-5-9-16/h12-13H,1-11H2
InChIKeyLHJSQUYGVJYUKZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.09
Rot. Bonds2

About cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone

cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 42744639) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID42744639
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Namecyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(C1CSCN1C(=O)C1CCCCC1)N1CCCC1
InChIInChI=1S/C15H24N2O2S/c18-14(12-6-2-1-3-7-12)17-11-20-10-13(17)15(19)16-8-4-5-9-16/h12-13H,1-11H2
InChIKeyLHJSQUYGVJYUKZ-UHFFFAOYSA-N
XLogP2.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
cyclopentyl-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 71935072
[4-(4-aminopiperidine-1-carbonyl)-1,3-thiazolidin-3-yl]-cyclopentylmethanone;hydrochloride
CID 119374240
1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 86776938
[(4R)-4-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone
CID 124801732
cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone
CID 119396252
3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359555
(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143597
2-[4-[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119249033
[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 98886710
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone (CID 42744639) is cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone is O=C(C1CSCN1C(=O)C1CCCCC1)N1CCCC1.
What is the InChIKey of cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is LHJSQUYGVJYUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c18-14(12-6-2-1-3-7-12)17-11-20-10-13(17)15(19)16-8-4-5-9-16/h12-13H,1-11H2.
What are the key properties of cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 296.44 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 42744639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).