4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide

C14H14F4N6OS — CID 89000096

IUPAC4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
SMILESON/C(=N\c1ccc(C(F)(F)F)cc1)N1CCN(c2nsnc2F)CC1
InChIInChI=1S/C14H14F4N6OS/c15-11-12(22-26-21-11)23-5-7-24(8-6-23)13(20-25)19-10-3-1-9(2-4-10)14(16,17)18/h1-4,25H,5-8H2,(H,19,20)
InChIKeyWPNWXZZSIVFCGU-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.48
Rot. Bonds2

About 4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide

4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide (PubChem CID 89000096) has the molecular formula C14H14F4N6OS and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
PubChem CID89000096
Molecular FormulaC14H14F4N6OS
Molecular Weight390.37 g/mol
Exact Mass390.09
IUPAC Name4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
SMILESON/C(=N\c1ccc(C(F)(F)F)cc1)N1CCN(c2nsnc2F)CC1
InChIInChI=1S/C14H14F4N6OS/c15-11-12(22-26-21-11)23-5-7-24(8-6-23)13(20-25)19-10-3-1-9(2-4-10)14(16,17)18/h1-4,25H,5-8H2,(H,19,20)
InChIKeyWPNWXZZSIVFCGU-UHFFFAOYSA-N
XLogP2.48
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide (CID 89000096) is 4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide is ON/C(=N\c1ccc(C(F)(F)F)cc1)N1CCN(c2nsnc2F)CC1.
What is the InChIKey of 4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
The InChIKey is WPNWXZZSIVFCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N6OS/c15-11-12(22-26-21-11)23-5-7-24(8-6-23)13(20-25)19-10-3-1-9(2-4-10)14(16,17)18/h1-4,25H,5-8H2,(H,19,20).
What are the key properties of 4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide has a molecular weight of 390.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1,2,5-thiadiazol-3-yl)-N-hydroxy-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide is sourced from PubChem (CID 89000096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).