N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide

C16H9ClF3N5O2S — CID 164811154

IUPACN-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
SMILESO=C(Nc1snnc1C(=O)Nc1ccc(Cl)cc1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C16H9ClF3N5O2S/c17-10-1-3-11(4-2-10)22-14(27)12-15(28-25-24-12)23-13(26)8-5-9(7-21-6-8)16(18,19)20/h1-7H,(H,22,27)(H,23,26)
InChIKeyFHKJEYNEGHVHJS-UHFFFAOYSA-N
MW427.80 g/mol
LogP4.11
Rot. Bonds4

About N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide

N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide (PubChem CID 164811154) has the molecular formula C16H9ClF3N5O2S and a molecular weight of 427.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
PubChem CID164811154
Molecular FormulaC16H9ClF3N5O2S
Molecular Weight427.80 g/mol
Exact Mass427.01
IUPAC NameN-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
SMILESO=C(Nc1snnc1C(=O)Nc1ccc(Cl)cc1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C16H9ClF3N5O2S/c17-10-1-3-11(4-2-10)22-14(27)12-15(28-25-24-12)23-13(26)8-5-9(7-21-6-8)16(18,19)20/h1-7H,(H,22,27)(H,23,26)
InChIKeyFHKJEYNEGHVHJS-UHFFFAOYSA-N
XLogP4.11
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.80
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide (CID 164811154) is N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide is O=C(Nc1snnc1C(=O)Nc1ccc(Cl)cc1)c1cncc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide?
The InChIKey is FHKJEYNEGHVHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N5O2S/c17-10-1-3-11(4-2-10)22-14(27)12-15(28-25-24-12)23-13(26)8-5-9(7-21-6-8)16(18,19)20/h1-7H,(H,22,27)(H,23,26).
What are the key properties of N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide?
N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide has a molecular weight of 427.80 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide is sourced from PubChem (CID 164811154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).