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

C11H8ClF3N4O2S — CID 16574833

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)s1
InChIInChI=1S/C11H8ClF3N4O2S/c1-5-17-18-10(22-5)16-8(20)4-19-3-6(11(13,14)15)2-7(12)9(19)21/h2-3H,4H2,1H3,(H,16,18,20)
InChIKeyGJJRABMBJUGEHW-UHFFFAOYSA-N
MW352.73 g/mol
LogP2.32
Rot. Bonds3

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 16574833) has the molecular formula C11H8ClF3N4O2S and a molecular weight of 352.73 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID16574833
Molecular FormulaC11H8ClF3N4O2S
Molecular Weight352.73 g/mol
Exact Mass352.00
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)s1
InChIInChI=1S/C11H8ClF3N4O2S/c1-5-17-18-10(22-5)16-8(20)4-19-3-6(11(13,14)15)2-7(12)9(19)21/h2-3H,4H2,1H3,(H,16,18,20)
InChIKeyGJJRABMBJUGEHW-UHFFFAOYSA-N
XLogP2.32
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 52.32
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-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 16574833) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(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-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GJJRABMBJUGEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O2S/c1-5-17-18-10(22-5)16-8(20)4-19-3-6(11(13,14)15)2-7(12)9(19)21/h2-3H,4H2,1H3,(H,16,18,20).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 352.73 g/mol, XLogP of 2.32, 3 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-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 16574833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).