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

C15H17F3N6OS — CID 89000095

IUPACN-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
SMILESCc1nsnc1N1CCN(/C(=N/c2ccc(C(F)(F)F)cc2)NO)CC1
InChIInChI=1S/C15H17F3N6OS/c1-10-13(22-26-21-10)23-6-8-24(9-7-23)14(20-25)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,25H,6-9H2,1H3,(H,19,20)
InChIKeyFOMWIVGVVNYWMX-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.65
Rot. Bonds2

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

N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide (PubChem CID 89000095) has the molecular formula C15H17F3N6OS and a molecular weight of 386.40 g/mol. Its IUPAC name is N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
PubChem CID89000095
Molecular FormulaC15H17F3N6OS
Molecular Weight386.40 g/mol
Exact Mass386.11
IUPAC NameN-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
SMILESCc1nsnc1N1CCN(/C(=N/c2ccc(C(F)(F)F)cc2)NO)CC1
InChIInChI=1S/C15H17F3N6OS/c1-10-13(22-26-21-10)23-6-8-24(9-7-23)14(20-25)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,25H,6-9H2,1H3,(H,19,20)
InChIKeyFOMWIVGVVNYWMX-UHFFFAOYSA-N
XLogP2.65
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.65
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
The IUPAC name of N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide (CID 89000095) is N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide.
What is the SMILES notation for N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
The canonical SMILES for N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide is Cc1nsnc1N1CCN(/C(=N/c2ccc(C(F)(F)F)cc2)NO)CC1.
What is the InChIKey of N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
The InChIKey is FOMWIVGVVNYWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6OS/c1-10-13(22-26-21-10)23-6-8-24(9-7-23)14(20-25)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,25H,6-9H2,1H3,(H,19,20).
What are the key properties of N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide?
N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide has a molecular weight of 386.40 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)-N'-[4-(trifluoromethyl)phenyl]piperazine-1-carboximidamide is sourced from PubChem (CID 89000095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).