6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

C13H12F3N5O2S — CID 126796495

IUPAC6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H12F3N5O2S/c14-13(15,16)11-18-19-12(24-11)21-6-4-20(5-7-21)10(23)8-2-1-3-9(22)17-8/h1-3H,4-7H2,(H,17,22)
InChIKeyGBBTZYYHOUAHHW-UHFFFAOYSA-N
MW359.33 g/mol
LogP1.21
Rot. Bonds2

About 6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 126796495) has the molecular formula C13H12F3N5O2S and a molecular weight of 359.33 g/mol. Its IUPAC name is 6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID126796495
Molecular FormulaC13H12F3N5O2S
Molecular Weight359.33 g/mol
Exact Mass359.07
IUPAC Name6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cccc(=O)[nH]1)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H12F3N5O2S/c14-13(15,16)11-18-19-12(24-11)21-6-4-20(5-7-21)10(23)8-2-1-3-9(22)17-8/h1-3H,4-7H2,(H,17,22)
InChIKeyGBBTZYYHOUAHHW-UHFFFAOYSA-N
XLogP1.21
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 126796495) is 6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cccc(=O)[nH]1)N1CCN(c2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is GBBTZYYHOUAHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O2S/c14-13(15,16)11-18-19-12(24-11)21-6-4-20(5-7-21)10(23)8-2-1-3-9(22)17-8/h1-3H,4-7H2,(H,17,22).
What are the key properties of 6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 359.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 126796495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).