2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide

C15H15F3N4O2S — CID 122245092

IUPAC2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide
SMILESCOc1c(F)c(F)cc(C(=O)NC2CCN(c3cnsn3)CC2)c1F
InChIInChI=1S/C15H15F3N4O2S/c1-24-14-12(17)9(6-10(16)13(14)18)15(23)20-8-2-4-22(5-3-8)11-7-19-25-21-11/h6-8H,2-5H2,1H3,(H,20,23)
InChIKeyYAIYDMKXGDHVTB-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.36
Rot. Bonds4

About 2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide

2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 122245092) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide
PubChem CID122245092
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC Name2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide
SMILESCOc1c(F)c(F)cc(C(=O)NC2CCN(c3cnsn3)CC2)c1F
InChIInChI=1S/C15H15F3N4O2S/c1-24-14-12(17)9(6-10(16)13(14)18)15(23)20-8-2-4-22(5-3-8)11-7-19-25-21-11/h6-8H,2-5H2,1H3,(H,20,23)
InChIKeyYAIYDMKXGDHVTB-UHFFFAOYSA-N
XLogP2.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 126853296
[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 131702270
N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 126851164
N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide
CID 131702121
1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea
CID 122245095
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528307
2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
2-chloro-4,5-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 55708556
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809991
[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122340857
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide (CID 122245092) is 2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide is COc1c(F)c(F)cc(C(=O)NC2CCN(c3cnsn3)CC2)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is YAIYDMKXGDHVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c1-24-14-12(17)9(6-10(16)13(14)18)15(23)20-8-2-4-22(5-3-8)11-7-19-25-21-11/h6-8H,2-5H2,1H3,(H,20,23).
What are the key properties of 2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide?
2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 372.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 122245092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).