(3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone

C15H13F2N5OS — CID 110405401

IUPAC(3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(c2nn3cnnc3s2)CC1
InChIInChI=1S/C15H13F2N5OS/c16-11-2-1-10(7-12(11)17)14(23)21-5-3-9(4-6-21)13-20-22-8-18-19-15(22)24-13/h1-2,7-9H,3-6H2
InChIKeyWCHFURPUBLOHMJ-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.48
Rot. Bonds2

About (3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone

(3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone (PubChem CID 110405401) has the molecular formula C15H13F2N5OS and a molecular weight of 349.37 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
PubChem CID110405401
Molecular FormulaC15H13F2N5OS
Molecular Weight349.37 g/mol
Exact Mass349.08
IUPAC Name(3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(c2nn3cnnc3s2)CC1
InChIInChI=1S/C15H13F2N5OS/c16-11-2-1-10(7-12(11)17)14(23)21-5-3-9(4-6-21)13-20-22-8-18-19-15(22)24-13/h1-2,7-9H,3-6H2
InChIKeyWCHFURPUBLOHMJ-UHFFFAOYSA-N
XLogP2.48
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289983
cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405349
1-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one
CID 110405340
cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405424
2-phenyl-1-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]ethanone
CID 110405376
N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide
CID 110405406
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
(3,4-dichlorophenyl)-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405257
N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841986
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 53146783

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone (CID 110405401) is (3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCC(c2nn3cnnc3s2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
The InChIKey is WCHFURPUBLOHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5OS/c16-11-2-1-10(7-12(11)17)14(23)21-5-3-9(4-6-21)13-20-22-8-18-19-15(22)24-13/h1-2,7-9H,3-6H2.
What are the key properties of (3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone has a molecular weight of 349.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110405401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).