ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole

C10H20N2S — CID 166103059

IUPACethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole
SMILESC1=CSC([C@@H]2CCCNC2)N1.CC
InChIInChI=1S/C8H14N2S.C2H6/c1-2-7(6-9-3-1)8-10-4-5-11-8;1-2/h4-5,7-10H,1-3,6H2;1-2H3/t7-,8?;/m1./s1
InChIKeyHRACPHHROIYHIY-PGMKYVDRSA-N
MW200.35 g/mol
LogP2.15
Rot. Bonds1

About ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole

ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole (PubChem CID 166103059) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole
PubChem CID166103059
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Nameethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole
SMILESC1=CSC([C@@H]2CCCNC2)N1.CC
InChIInChI=1S/C8H14N2S.C2H6/c1-2-7(6-9-3-1)8-10-4-5-11-8;1-2/h4-5,7-10H,1-3,6H2;1-2H3/t7-,8?;/m1./s1
InChIKeyHRACPHHROIYHIY-PGMKYVDRSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-3-cyclohexylpiperidine
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CID 82416494
(3R)-3-[(2R)-pyrrolidin-2-yl]piperidine
CID 40566318
3-(3,3,5,5-tetramethylcyclohexyl)piperidine
CID 165449949
ethane;3-methylpiperidine;hydrate
CID 142361877
3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine
CID 138554774
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;azepane;ethane;propane
CID 143167728

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole?
The IUPAC name of ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole (CID 166103059) is ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole?
The canonical SMILES for ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole is C1=CSC([C@@H]2CCCNC2)N1.CC.
What is the InChIKey of ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole?
The InChIKey is HRACPHHROIYHIY-PGMKYVDRSA-N. The full InChI is InChI=1S/C8H14N2S.C2H6/c1-2-7(6-9-3-1)8-10-4-5-11-8;1-2/h4-5,7-10H,1-3,6H2;1-2H3/t7-,8?;/m1./s1.
What are the key properties of ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole?
ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole has a molecular weight of 200.35 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 166103059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).