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

C16H20N2O2S2 — CID 3773079

IUPAC2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)cs1
InChIInChI=1S/C16H20N2O2S2/c1-12-5-4-8-18(10-12)22(19,20)15-7-3-6-14(9-15)16-11-21-13(2)17-16/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3
InChIKeyGIWZJXLHVLXUKW-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.54
Rot. Bonds3

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

2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole (PubChem CID 3773079) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
PubChem CID3773079
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)cs1
InChIInChI=1S/C16H20N2O2S2/c1-12-5-4-8-18(10-12)22(19,20)15-7-3-6-14(9-15)16-11-21-13(2)17-16/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3
InChIKeyGIWZJXLHVLXUKW-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole (CID 3773079) is 2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole is Cc1nc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)cs1.
What is the InChIKey of 2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole?
The InChIKey is GIWZJXLHVLXUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-12-5-4-8-18(10-12)22(19,20)15-7-3-6-14(9-15)16-11-21-13(2)17-16/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3.
What are the key properties of 2-methyl-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole?
2-methyl-4-[3-(3-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-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole is sourced from PubChem (CID 3773079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).