N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide

C14H16FN3O2S — CID 110881885

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)CC1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C14H16FN3O2S/c15-9-1-2-11-12(7-9)21-14(16-11)17-13(20)8-18-5-3-10(19)4-6-18/h1-2,7,10,19H,3-6,8H2,(H,16,17,20)
InChIKeyZILBGWFCQHTLTD-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.83
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide (PubChem CID 110881885) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
PubChem CID110881885
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)CC1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C14H16FN3O2S/c15-9-1-2-11-12(7-9)21-14(16-11)17-13(20)8-18-5-3-10(19)4-6-18/h1-2,7,10,19H,3-6,8H2,(H,16,17,20)
InChIKeyZILBGWFCQHTLTD-UHFFFAOYSA-N
XLogP1.83
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
CID 71913543
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 54466738
2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 112802141
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 46981272
2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 134203953
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 167869533
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 4545064
2-[4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 134131232
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 165430372
2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 110162486

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide (CID 110881885) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide is O=C(CN1CCC(O)CC1)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide?
The InChIKey is ZILBGWFCQHTLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-9-1-2-11-12(7-9)21-14(16-11)17-13(20)8-18-5-3-10(19)4-6-18/h1-2,7,10,19H,3-6,8H2,(H,16,17,20).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 110881885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).