2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole

C16H20N2O2S2 — CID 5121126

IUPAC2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1
InChIInChI=1S/C16H20N2O2S2/c1-12-7-9-18(10-8-12)22(19,20)15-5-3-14(4-6-15)16-11-21-13(2)17-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWWDAFOFDBASRGK-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.54
Rot. Bonds3

About 2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole

2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole (PubChem CID 5121126) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
PubChem CID5121126
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1
InChIInChI=1S/C16H20N2O2S2/c1-12-7-9-18(10-8-12)22(19,20)15-5-3-14(4-6-15)16-11-21-13(2)17-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWWDAFOFDBASRGK-UHFFFAOYSA-N
XLogP3.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole
CID 171703804
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-4-carboxamide
CID 24509082
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonic acid
CID 118293667
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55754023
2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 55630104
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53112505
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 43173625
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
2-methyl-4-[4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 122336263
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole (CID 5121126) is 2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole is Cc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1.
What is the InChIKey of 2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole?
The InChIKey is WWDAFOFDBASRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-12-7-9-18(10-8-12)22(19,20)15-5-3-14(4-6-15)16-11-21-13(2)17-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole?
2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole has a molecular weight of 336.48 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole is sourced from PubChem (CID 5121126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).