N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

C9H5F3N4OS — CID 1245352

IUPACN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cccnc1
InChIInChI=1S/C9H5F3N4OS/c10-9(11,12)7-15-16-8(18-7)14-6(17)5-2-1-3-13-4-5/h1-4H,(H,14,16,17)
InChIKeyHWBUIQQZXQVJLQ-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.20
Rot. Bonds2

About N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 1245352) has the molecular formula C9H5F3N4OS and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
PubChem CID1245352
Molecular FormulaC9H5F3N4OS
Molecular Weight274.23 g/mol
Exact Mass274.01
IUPAC NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cccnc1
InChIInChI=1S/C9H5F3N4OS/c10-9(11,12)7-15-16-8(18-7)14-6(17)5-2-1-3-13-4-5/h1-4H,(H,14,16,17)
InChIKeyHWBUIQQZXQVJLQ-UHFFFAOYSA-N
XLogP2.20
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 4173511
N-[5-(3-Pyridinyl)-1,3,4-thiadiazol-2-YL]-2-thiophenecarboxamide
CID 1080952
Acetamide, N-(5-(4-pyridyl)-1,3,4-thiadiazol-2-yl)-
CID 19289
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 1447074
6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2085604
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2558670
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 746692
2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]nicotinamide
CID 1221234
N-(5-ethyl-1,3,4-thiadiazol-2-yl)nicotinamide
CID 1387083
N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 659441
N-Methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-nicotinamide
CID 646267
3-Methyl-but-2-enoic acid (5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 653655

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 1245352) is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)c1cccnc1.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is HWBUIQQZXQVJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4OS/c10-9(11,12)7-15-16-8(18-7)14-6(17)5-2-1-3-13-4-5/h1-4H,(H,14,16,17).
What are the key properties of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 274.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1245352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).