ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole

C11H20N2S — CID 163230037

IUPACethane;2-methyl-5-piperidin-1-yl-1,3-thiazole
SMILESCC.Cc1ncc(N2CCCCC2)s1
InChIInChI=1S/C9H14N2S.C2H6/c1-8-10-7-9(12-8)11-5-3-2-4-6-11;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyIYZHFEBOQFCUPA-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.47
Rot. Bonds1

About ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole

ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole (PubChem CID 163230037) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methyl-5-piperidin-1-yl-1,3-thiazole
PubChem CID163230037
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Nameethane;2-methyl-5-piperidin-1-yl-1,3-thiazole
SMILESCC.Cc1ncc(N2CCCCC2)s1
InChIInChI=1S/C9H14N2S.C2H6/c1-8-10-7-9(12-8)11-5-3-2-4-6-11;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyIYZHFEBOQFCUPA-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-piperidin-1-yl-1,3-thiazole-2-carbaldehyde
CID 130026564
2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
CID 163230344
2-methyl-6-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyrazine
CID 14181153
2,5-dimethyl-1,3-thiazole;ethane
CID 123921924
ethane;2-piperidin-1-ylpyrimidin-5-amine
CID 166532022
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
butane;5-methyl-2-piperidin-1-ylpyridine
CID 170641231
ethane;5-piperidin-1-ylpyrazin-2-amine
CID 143786995
N-[2-(azepan-1-yl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 71881060
2-(3-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 91001774
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole?
The IUPAC name of ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole (CID 163230037) is ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole is CC.Cc1ncc(N2CCCCC2)s1.
What is the InChIKey of ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole?
The InChIKey is IYZHFEBOQFCUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.C2H6/c1-8-10-7-9(12-8)11-5-3-2-4-6-11;1-2/h7H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole?
ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole has a molecular weight of 212.36 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 163230037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).