1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide

C9H12F3N5S — CID 107304633

IUPAC1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C9H12F3N5S/c10-9(11,12)7-15-8(18-16-7)17-3-1-5(2-4-17)6(13)14/h5H,1-4H2,(H3,13,14)
InChIKeyRLMYSTLUZUBTRB-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.71
Rot. Bonds2

About 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide

1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide (PubChem CID 107304633) has the molecular formula C9H12F3N5S and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide
PubChem CID107304633
Molecular FormulaC9H12F3N5S
Molecular Weight279.29 g/mol
Exact Mass279.08
IUPAC Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C9H12F3N5S/c10-9(11,12)7-15-8(18-16-7)17-3-1-5(2-4-17)6(13)14/h5H,1-4H2,(H3,13,14)
InChIKeyRLMYSTLUZUBTRB-UHFFFAOYSA-N
XLogP1.71
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide (CID 107304633) is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide?
The InChIKey is RLMYSTLUZUBTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5S/c10-9(11,12)7-15-8(18-16-7)17-3-1-5(2-4-17)6(13)14/h5H,1-4H2,(H3,13,14).
What are the key properties of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide?
1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide has a molecular weight of 279.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboximidamide is sourced from PubChem (CID 107304633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).