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[2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone

C17H20N2O4S2 — CID 146616891

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2cnc(N3CCCCC3CO)s2)c1
InChIInChI=1S/C17H20N2O4S2/c1-25(22,23)14-7-4-5-12(9-14)16(21)15-10-18-17(24-15)19-8-3-2-6-13(19)11-20/h4-5,7,9-10,13,20H,2-3,6,8,11H2,1H3
InChIKeyHZZSUQAARWGYSV-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.13
Rot. Bonds5

About [2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone

[2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 146616891) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID146616891
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name[2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2cnc(N3CCCCC3CO)s2)c1
InChIInChI=1S/C17H20N2O4S2/c1-25(22,23)14-7-4-5-12(9-14)16(21)15-10-18-17(24-15)19-8-3-2-6-13(19)11-20/h4-5,7,9-10,13,20H,2-3,6,8,11H2,1H3
InChIKeyHZZSUQAARWGYSV-UHFFFAOYSA-N
XLogP2.13
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone (CID 146616891) is [2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone is CS(=O)(=O)c1cccc(C(=O)c2cnc(N3CCCCC3CO)s2)c1.
What is the InChIKey of [2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is HZZSUQAARWGYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-25(22,23)14-7-4-5-12(9-14)16(21)15-10-18-17(24-15)19-8-3-2-6-13(19)11-20/h4-5,7,9-10,13,20H,2-3,6,8,11H2,1H3.
What are the key properties of [2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
[2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 380.49 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 146616891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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