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

C12H9F3N4O2S — CID 162150154

IUPAC2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCC(=O)Cc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)ccn1
InChIInChI=1S/C12H9F3N4O2S/c1-6(20)4-8-5-7(2-3-16-8)9(21)17-11-19-18-10(22-11)12(13,14)15/h2-3,5H,4H2,1H3,(H,17,19,21)
InChIKeyZLCCAOSIYBULAP-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.34
Rot. Bonds4

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

2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (PubChem CID 162150154) has the molecular formula C12H9F3N4O2S and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
PubChem CID162150154
Molecular FormulaC12H9F3N4O2S
Molecular Weight330.29 g/mol
Exact Mass330.04
IUPAC Name2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCC(=O)Cc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)ccn1
InChIInChI=1S/C12H9F3N4O2S/c1-6(20)4-8-5-7(2-3-16-8)9(21)17-11-19-18-10(22-11)12(13,14)15/h2-3,5H,4H2,1H3,(H,17,19,21)
InChIKeyZLCCAOSIYBULAP-UHFFFAOYSA-N
XLogP2.34
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
3,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 777614
4-bromo-3,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38783115
4-(methylsulfonylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782405
4-(1,3-dithiolan-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782402
2-(2-oxopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 158665021
3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 118298962
4-(1,3-dithian-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782760
2-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077801
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 158051254
2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324451
N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 38782851

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (CID 162150154) is 2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is CC(=O)Cc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)ccn1.
What is the InChIKey of 2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is ZLCCAOSIYBULAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O2S/c1-6(20)4-8-5-7(2-3-16-8)9(21)17-11-19-18-10(22-11)12(13,14)15/h2-3,5H,4H2,1H3,(H,17,19,21).
What are the key properties of 2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 162150154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).