1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone

C10H16N2OS — CID 102455284

IUPAC1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C1=NCCCS1
InChIInChI=1S/C10H16N2OS/c1-8(13)12-6-2-4-9(12)10-11-5-3-7-14-10/h9H,2-7H2,1H3
InChIKeyRAUGGWMFXZRAFV-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.53
Rot. Bonds1

About 1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone

1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 102455284) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID102455284
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C1=NCCCS1
InChIInChI=1S/C10H16N2OS/c1-8(13)12-6-2-4-9(12)10-11-5-3-7-14-10/h9H,2-7H2,1H3
InChIKeyRAUGGWMFXZRAFV-UHFFFAOYSA-N
XLogP1.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidine-1-carboxylate
CID 102455285
1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 118359435
1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 18682297
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95730771
1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
CID 118359439
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
1-[3-(1-acetylpyrrolidin-2-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 110262958
1-[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984814
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 43033918

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone (CID 102455284) is 1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1C1=NCCCS1.
What is the InChIKey of 1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is RAUGGWMFXZRAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(13)12-6-2-4-9(12)10-11-5-3-7-14-10/h9H,2-7H2,1H3.
What are the key properties of 1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone?
1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 212.32 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102455284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).