5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole

C15H18N2O2S2 — CID 150283484

IUPAC5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2cnc(C3CCNCC3)s2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-21(18,19)13-4-2-11(3-5-13)14-10-17-15(20-14)12-6-8-16-9-7-12/h2-5,10,12,16H,6-9H2,1H3
InChIKeyGGBRSYIQUFHSPQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.68
Rot. Bonds3

About 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole

5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 150283484) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID150283484
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2cnc(C3CCNCC3)s2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-21(18,19)13-4-2-11(3-5-13)14-10-17-15(20-14)12-6-8-16-9-7-12/h2-5,10,12,16H,6-9H2,1H3
InChIKeyGGBRSYIQUFHSPQ-UHFFFAOYSA-N
XLogP2.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole (CID 150283484) is 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole is CS(=O)(=O)c1ccc(-c2cnc(C3CCNCC3)s2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is GGBRSYIQUFHSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-21(18,19)13-4-2-11(3-5-13)14-10-17-15(20-14)12-6-8-16-9-7-12/h2-5,10,12,16H,6-9H2,1H3.
What are the key properties of 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole?
5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 322.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 150283484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).