[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

C16H16F2N2O2S — CID 110020263

IUPAC[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCCC(CO)C1
InChIInChI=1S/C16H16F2N2O2S/c17-12-4-3-11(6-13(12)18)15-19-14(9-23-15)16(22)20-5-1-2-10(7-20)8-21/h3-4,6,9-10,21H,1-2,5,7-8H2
InChIKeyVJMABSLYKLGMLY-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.93
Rot. Bonds3

About [2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110020263) has the molecular formula C16H16F2N2O2S and a molecular weight of 338.38 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110020263
Molecular FormulaC16H16F2N2O2S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCCC(CO)C1
InChIInChI=1S/C16H16F2N2O2S/c17-12-4-3-11(6-13(12)18)15-19-14(9-23-15)16(22)20-5-1-2-10(7-20)8-21/h3-4,6,9-10,21H,1-2,5,7-8H2
InChIKeyVJMABSLYKLGMLY-UHFFFAOYSA-N
XLogP2.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398069
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119395928
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 62357457
1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 60600926
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394984
[3-(methylaminomethyl)piperidin-1-yl]-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119397277
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490176
N-(2-aminoethyl)-1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119481732
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 110020263) is [2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCCC(CO)C1.
What is the InChIKey of [2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is VJMABSLYKLGMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2S/c17-12-4-3-11(6-13(12)18)15-19-14(9-23-15)16(22)20-5-1-2-10(7-20)8-21/h3-4,6,9-10,21H,1-2,5,7-8H2.
What are the key properties of [2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 338.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110020263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).