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

C13H12ClF3N4O2S — CID 24555826

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)s1
InChIInChI=1S/C13H12ClF3N4O2S/c1-6(2)10-19-20-12(24-10)18-9(22)5-21-4-7(13(15,16)17)3-8(14)11(21)23/h3-4,6H,5H2,1-2H3,(H,18,20,22)
InChIKeyPZHRGCHFFCVXDF-UHFFFAOYSA-N
MW380.78 g/mol
LogP3.13
Rot. Bonds4

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 24555826) has the molecular formula C13H12ClF3N4O2S and a molecular weight of 380.78 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID24555826
Molecular FormulaC13H12ClF3N4O2S
Molecular Weight380.78 g/mol
Exact Mass380.03
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)s1
InChIInChI=1S/C13H12ClF3N4O2S/c1-6(2)10-19-20-12(24-10)18-9(22)5-21-4-7(13(15,16)17)3-8(14)11(21)23/h3-4,6H,5H2,1-2H3,(H,18,20,22)
InChIKeyPZHRGCHFFCVXDF-UHFFFAOYSA-N
XLogP3.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 24555826) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)s1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PZHRGCHFFCVXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4O2S/c1-6(2)10-19-20-12(24-10)18-9(22)5-21-4-7(13(15,16)17)3-8(14)11(21)23/h3-4,6H,5H2,1-2H3,(H,18,20,22).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 380.78 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 24555826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).