[4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

C9H13FN4OS — CID 138015029

IUPAC[4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCN(CCF)CC1
InChIInChI=1S/C9H13FN4OS/c10-1-2-13-3-5-14(6-4-13)9(15)8-7-11-16-12-8/h7H,1-6H2
InChIKeyOMIJASLHTGAEAW-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.27
Rot. Bonds3

About [4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

[4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 138015029) has the molecular formula C9H13FN4OS and a molecular weight of 244.29 g/mol. Its IUPAC name is [4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID138015029
Molecular FormulaC9H13FN4OS
Molecular Weight244.29 g/mol
Exact Mass244.08
IUPAC Name[4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCN(CCF)CC1
InChIInChI=1S/C9H13FN4OS/c10-1-2-13-3-5-14(6-4-13)9(15)8-7-11-16-12-8/h7H,1-6H2
InChIKeyOMIJASLHTGAEAW-UHFFFAOYSA-N
XLogP0.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(1,2,5-thiadiazol-3-ylcarbonyl)-1-piperazinecarboxylate
CID 900727
3-Ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
CID 63601362
1-Cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
CID 71924820
[(7S,8aS)-7-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 136588932
2H-triazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 47336883
[4-(2,2-difluoroethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 49070014
N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 72014244
N-[(2R)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 96547262
N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 96547263
N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 114383742
N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 120408228
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 120813704

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 138015029) is [4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCN(CCF)CC1.
What is the InChIKey of [4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is OMIJASLHTGAEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4OS/c10-1-2-13-3-5-14(6-4-13)9(15)8-7-11-16-12-8/h7H,1-6H2.
What are the key properties of [4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 138015029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).