2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone

C18H18N4OS — CID 126853257

IUPAC2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCN(c2cnsn2)CC1
InChIInChI=1S/C18H18N4OS/c23-18(12-15-6-3-5-14-4-1-2-7-16(14)15)22-10-8-21(9-11-22)17-13-19-24-20-17/h1-7,13H,8-12H2
InChIKeyCWAXQOHYGHURPY-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.58
Rot. Bonds3

About 2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone

2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone (PubChem CID 126853257) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
PubChem CID126853257
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCN(c2cnsn2)CC1
InChIInChI=1S/C18H18N4OS/c23-18(12-15-6-3-5-14-4-1-2-7-16(14)15)22-10-8-21(9-11-22)17-13-19-24-20-17/h1-7,13H,8-12H2
InChIKeyCWAXQOHYGHURPY-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 154581669
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
2-naphthalen-1-yl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343780
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 20969017
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 16883527
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 122340264
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 122339228
2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
CID 126855116
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 7921209
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 80702768
2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896738
3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile
CID 54788097

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone (CID 126853257) is 2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone is O=C(Cc1cccc2ccccc12)N1CCN(c2cnsn2)CC1.
What is the InChIKey of 2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone?
The InChIKey is CWAXQOHYGHURPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(12-15-6-3-5-14-4-1-2-7-16(14)15)22-10-8-21(9-11-22)17-13-19-24-20-17/h1-7,13H,8-12H2.
What are the key properties of 2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone?
2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone has a molecular weight of 338.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 126853257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).