[4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C10H15FN4OS — CID 121021918

IUPAC[4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(CCF)CC1
InChIInChI=1S/C10H15FN4OS/c1-8-9(17-13-12-8)10(16)15-6-4-14(3-2-11)5-7-15/h2-7H2,1H3
InChIKeyFFCVJEUODJOHHP-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.57
Rot. Bonds3

About [4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 121021918) has the molecular formula C10H15FN4OS and a molecular weight of 258.32 g/mol. Its IUPAC name is [4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID121021918
Molecular FormulaC10H15FN4OS
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name[4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(CCF)CC1
InChIInChI=1S/C10H15FN4OS/c1-8-9(17-13-12-8)10(16)15-6-4-14(3-2-11)5-7-15/h2-7H2,1H3
InChIKeyFFCVJEUODJOHHP-UHFFFAOYSA-N
XLogP0.57
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 121021918) is [4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCN(CCF)CC1.
What is the InChIKey of [4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is FFCVJEUODJOHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4OS/c1-8-9(17-13-12-8)10(16)15-6-4-14(3-2-11)5-7-15/h2-7H2,1H3.
What are the key properties of [4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(2-fluoroethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 0.57, 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]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 121021918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).