N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide

C17H21FN4O2S — CID 71913543

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C2CCOC2)CC1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C17H21FN4O2S/c18-12-1-2-14-15(9-12)25-17(19-14)20-16(23)10-21-4-6-22(7-5-21)13-3-8-24-11-13/h1-2,9,13H,3-8,10-11H2,(H,19,20,23)
InChIKeyCPOJLRGSOCGBDF-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.78
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide (PubChem CID 71913543) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
PubChem CID71913543
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C2CCOC2)CC1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C17H21FN4O2S/c18-12-1-2-14-15(9-12)25-17(19-14)20-16(23)10-21-4-6-22(7-5-21)13-3-8-24-11-13/h1-2,9,13H,3-8,10-11H2,(H,19,20,23)
InChIKeyCPOJLRGSOCGBDF-UHFFFAOYSA-N
XLogP1.78
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
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
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 54466738
2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 86941119
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-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 78826332
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-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide
CID 97011458

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide (CID 71913543) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide is O=C(CN1CCN(C2CCOC2)CC1)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide?
The InChIKey is CPOJLRGSOCGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c18-12-1-2-14-15(9-12)25-17(19-14)20-16(23)10-21-4-6-22(7-5-21)13-3-8-24-11-13/h1-2,9,13H,3-8,10-11H2,(H,19,20,23).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 71913543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).