N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C13H11F3N4O2S — CID 31830735

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H11F3N4O2S/c14-13(15,16)8-2-1-5-20(11(8)22)6-9(21)17-12-19-18-10(23-12)7-3-4-7/h1-2,5,7H,3-4,6H2,(H,17,19,21)
InChIKeyNBYUHUMDMZWNSG-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.23
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 31830735) 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)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID31830735
Molecular FormulaC13H11F3N4O2S
Molecular Weight344.32 g/mol
Exact Mass344.06
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H11F3N4O2S/c14-13(15,16)8-2-1-5-20(11(8)22)6-9(21)17-12-19-18-10(23-12)7-3-4-7/h1-2,5,7H,3-4,6H2,(H,17,19,21)
InChIKeyNBYUHUMDMZWNSG-UHFFFAOYSA-N
XLogP2.23
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 31830735) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is NBYUHUMDMZWNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2S/c14-13(15,16)8-2-1-5-20(11(8)22)6-9(21)17-12-19-18-10(23-12)7-3-4-7/h1-2,5,7H,3-4,6H2,(H,17,19,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 344.32 g/mol, XLogP of 2.23, 4 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)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 31830735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).