1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

C12H20N2O2S — CID 86776938

IUPAC1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSCC1C(=O)N1CCCCCC1
InChIInChI=1S/C12H20N2O2S/c1-10(15)14-9-17-8-11(14)12(16)13-6-4-2-3-5-7-13/h11H,2-9H2,1H3
InChIKeyQNBRVMKVXPOGAK-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.31
Rot. Bonds1

About 1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 86776938) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID86776938
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSCC1C(=O)N1CCCCCC1
InChIInChI=1S/C12H20N2O2S/c1-10(15)14-9-17-8-11(14)12(16)13-6-4-2-3-5-7-13/h11H,2-9H2,1H3
InChIKeyQNBRVMKVXPOGAK-UHFFFAOYSA-N
XLogP1.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 42749081
(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143597
cyclopentyl-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 71935072
4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183486
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 71884806
1-(4-tert-butylphenyl)-2-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethane-1,2-dione
CID 97007779
[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 98886710
[4-(4-aminopiperidine-1-carbonyl)-1,3-thiazolidin-3-yl]-cyclopentylmethanone;hydrochloride
CID 119374240
(4R)-3-(1-acetylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144327

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone (CID 86776938) is 1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CSCC1C(=O)N1CCCCCC1.
What is the InChIKey of 1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is QNBRVMKVXPOGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-10(15)14-9-17-8-11(14)12(16)13-6-4-2-3-5-7-13/h11H,2-9H2,1H3.
What are the key properties of 1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 256.37 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 86776938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).