N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C13H11F3N4O2S — CID 18141584

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H11F3N4O2S/c14-13(15,16)6-22-9-4-3-8(5-17-9)10(21)18-12-20-19-11(23-12)7-1-2-7/h3-5,7H,1-2,6H2,(H,18,20,21)
InChIKeyJQTQYIPRROMQHN-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.00
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 18141584) has the molecular formula C13H11F3N4O2S and a molecular weight of 344.32 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID18141584
Molecular FormulaC13H11F3N4O2S
Molecular Weight344.32 g/mol
Exact Mass344.06
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H11F3N4O2S/c14-13(15,16)6-22-9-4-3-8(5-17-9)10(21)18-12-20-19-11(23-12)7-1-2-7/h3-5,7H,1-2,6H2,(H,18,20,21)
InChIKeyJQTQYIPRROMQHN-UHFFFAOYSA-N
XLogP3.00
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 55786845
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide
CID 78859395
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide
CID 29411913
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337
4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285
methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate
CID 24632476
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-pentoxybenzamide
CID 4501787
N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 67239256
N-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51322720
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 18141584) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is JQTQYIPRROMQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2S/c14-13(15,16)6-22-9-4-3-8(5-17-9)10(21)18-12-20-19-11(23-12)7-1-2-7/h3-5,7H,1-2,6H2,(H,18,20,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 18141584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).