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

C17H20N2O4S2 — CID 146616891

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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Related Compounds

[2-[4-benzyl-3-(hydroxymethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146617035
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146570881
[2-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146571057
[2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146616910
[2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146571073
[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146618078
[1-[5-chloro-3-(3-methylsulfonylphenyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 19594574
N-benzyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117082113
[1-(5-amino-1,3-thiazol-2-yl)piperidin-2-yl]methanol
CID 102767808
1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 75400479
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 117091607
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95352253

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).