4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide

C17H22N2O2S — CID 92668173

IUPAC4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC[C@@H](C)C1
InChIInChI=1S/C17H22N2O2S/c1-12-6-8-15(9-7-12)16-14(3)17(18-22(16,20)21)19-10-4-5-13(2)11-19/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m1/s1
InChIKeyKHRHXMOAKVHFTG-CYBMUJFWSA-N
MW318.44 g/mol
LogP3.20
Rot. Bonds1

About 4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide

4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide (PubChem CID 92668173) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide
PubChem CID92668173
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC[C@@H](C)C1
InChIInChI=1S/C17H22N2O2S/c1-12-6-8-15(9-7-12)16-14(3)17(18-22(16,20)21)19-10-4-5-13(2)11-19/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m1/s1
InChIKeyKHRHXMOAKVHFTG-CYBMUJFWSA-N
XLogP3.20
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
CID 22512110
5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide
CID 20934698
N-butan-2-yl-4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-1,4-diazepane-1-carboxamide
CID 53187144
N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide
CID 53171399
(2S)-2-methyl-1-[4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-1,4-diazepan-1-yl]butan-1-one
CID 95102134
5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide
CID 22512229
1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride
CID 75539407
1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
CID 53187057
[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20943094
1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidine-4-carboxamide
CID 22512595
3-methyl-N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 53171402
1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea
CID 53187036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide?
The IUPAC name of 4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide (CID 92668173) is 4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide is CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC[C@@H](C)C1.
What is the InChIKey of 4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide?
The InChIKey is KHRHXMOAKVHFTG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-6-8-15(9-7-12)16-14(3)17(18-22(16,20)21)19-10-4-5-13(2)11-19/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide?
4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide has a molecular weight of 318.44 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 92668173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).