5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

C13H20N4O2S2 — CID 104968740

IUPAC5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCNc1nc2sccn2c1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C13H20N4O2S2/c1-9-5-4-6-10(2)17(9)21(18,19)12-11(14-3)15-13-16(12)7-8-20-13/h7-10,14H,4-6H2,1-3H3/t9-,10+
InChIKeyRFRYIONEHXYWML-AOOOYVTPSA-N
MW328.46 g/mol
LogP2.39
Rot. Bonds3

About 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 104968740) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID104968740
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCNc1nc2sccn2c1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C13H20N4O2S2/c1-9-5-4-6-10(2)17(9)21(18,19)12-11(14-3)15-13-16(12)7-8-20-13/h7-10,14H,4-6H2,1-3H3/t9-,10+
InChIKeyRFRYIONEHXYWML-AOOOYVTPSA-N
XLogP2.39
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
CID 104967823
5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 79180679
N-cyclobutyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62415032
5-(2,5-dimethylmorpholin-4-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62145564
5-(3-methoxypyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 103538307
N,N-dimethyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149455
N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146518
6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 80586000
N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149826
N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63859228
5-(3-ethylmorpholin-4-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62147550
6-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 54882392

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 104968740) is 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is CNc1nc2sccn2c1S(=O)(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is RFRYIONEHXYWML-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-9-5-4-6-10(2)17(9)21(18,19)12-11(14-3)15-13-16(12)7-8-20-13/h7-10,14H,4-6H2,1-3H3/t9-,10+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 328.46 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 104968740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).