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

C12H10ClF3N4O2S — CID 17434942

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)s1
InChIInChI=1S/C12H10ClF3N4O2S/c1-2-9-18-19-11(23-9)17-8(21)5-20-4-6(12(14,15)16)3-7(13)10(20)22/h3-4H,2,5H2,1H3,(H,17,19,21)
InChIKeyFUXJILRXAYALDC-UHFFFAOYSA-N
MW366.75 g/mol
LogP2.57
Rot. Bonds4

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 17434942) has the molecular formula C12H10ClF3N4O2S and a molecular weight of 366.75 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID17434942
Molecular FormulaC12H10ClF3N4O2S
Molecular Weight366.75 g/mol
Exact Mass366.02
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)s1
InChIInChI=1S/C12H10ClF3N4O2S/c1-2-9-18-19-11(23-9)17-8(21)5-20-4-6(12(14,15)16)3-7(13)10(20)22/h3-4H,2,5H2,1H3,(H,17,19,21)
InChIKeyFUXJILRXAYALDC-UHFFFAOYSA-N
XLogP2.57
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 17434942) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(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-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FUXJILRXAYALDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O2S/c1-2-9-18-19-11(23-9)17-8(21)5-20-4-6(12(14,15)16)3-7(13)10(20)22/h3-4H,2,5H2,1H3,(H,17,19,21).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 366.75 g/mol, XLogP of 2.57, 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-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 17434942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).