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

C14H15F3N4O2S — CID 30584744

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCCCc1nnc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C14H15F3N4O2S/c1-2-3-4-11-19-20-13(24-11)18-10(22)8-21-7-9(14(15,16)17)5-6-12(21)23/h5-7H,2-4,8H2,1H3,(H,18,20,22)
InChIKeyZIPRGTICVTXNRV-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.70
Rot. Bonds6

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 30584744) has the molecular formula C14H15F3N4O2S and a molecular weight of 360.36 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID30584744
Molecular FormulaC14H15F3N4O2S
Molecular Weight360.36 g/mol
Exact Mass360.09
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCCCc1nnc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C14H15F3N4O2S/c1-2-3-4-11-19-20-13(24-11)18-10(22)8-21-7-9(14(15,16)17)5-6-12(21)23/h5-7H,2-4,8H2,1H3,(H,18,20,22)
InChIKeyZIPRGTICVTXNRV-UHFFFAOYSA-N
XLogP2.70
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]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 N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 30584744) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CCCCc1nnc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is ZIPRGTICVTXNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2S/c1-2-3-4-11-19-20-13(24-11)18-10(22)8-21-7-9(14(15,16)17)5-6-12(21)23/h5-7H,2-4,8H2,1H3,(H,18,20,22).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 360.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 30584744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).