N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide

C8H4F3N5OS — CID 53467350

IUPACN-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide
SMILESO=C(Nc1ccnnc1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H4F3N5OS/c9-8(10,11)7-15-6(18-16-7)5(17)14-4-1-2-12-13-3-4/h1-3H,(H,12,14,17)
InChIKeyKLHYPNBYXZQSAE-UHFFFAOYSA-N
MW275.21 g/mol
LogP1.60
Rot. Bonds2

About N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide

N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide (PubChem CID 53467350) has the molecular formula C8H4F3N5OS and a molecular weight of 275.21 g/mol. Its IUPAC name is N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide
PubChem CID53467350
Molecular FormulaC8H4F3N5OS
Molecular Weight275.21 g/mol
Exact Mass275.01
IUPAC NameN-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide
SMILESO=C(Nc1ccnnc1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H4F3N5OS/c9-8(10,11)7-15-6(18-16-7)5(17)14-4-1-2-12-13-3-4/h1-3H,(H,12,14,17)
InChIKeyKLHYPNBYXZQSAE-UHFFFAOYSA-N
XLogP1.60
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide (CID 53467350) is N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide is O=C(Nc1ccnnc1)c1nc(C(F)(F)F)ns1.
What is the InChIKey of N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is KLHYPNBYXZQSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N5OS/c9-8(10,11)7-15-6(18-16-7)5(17)14-4-1-2-12-13-3-4/h1-3H,(H,12,14,17).
What are the key properties of N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide?
N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 275.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 53467350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).