N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide

C18H18N4O2S — CID 24648214

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cccnc2Oc2ccccc2)s1
InChIInChI=1S/C18H18N4O2S/c1-2-3-11-15-21-22-18(25-15)20-16(23)14-10-7-12-19-17(14)24-13-8-5-4-6-9-13/h4-10,12H,2-3,11H2,1H3,(H,20,22,23)
InChIKeyYOOCOCBOOFDVND-UHFFFAOYSA-N
MW354.44 g/mol
LogP4.32
Rot. Bonds7

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide (PubChem CID 24648214) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide
PubChem CID24648214
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)c2cccnc2Oc2ccccc2)s1
InChIInChI=1S/C18H18N4O2S/c1-2-3-11-15-21-22-18(25-15)20-16(23)14-10-7-12-19-17(14)24-13-8-5-4-6-9-13/h4-10,12H,2-3,11H2,1H3,(H,20,22,23)
InChIKeyYOOCOCBOOFDVND-UHFFFAOYSA-N
XLogP4.32
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyethoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60567241
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 24667862
2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60553366
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
CID 108801746
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
2-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 22170733
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide
CID 134698300
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide (CID 24648214) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide is CCCCc1nnc(NC(=O)c2cccnc2Oc2ccccc2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide?
The InChIKey is YOOCOCBOOFDVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-2-3-11-15-21-22-18(25-15)20-16(23)14-10-7-12-19-17(14)24-13-8-5-4-6-9-13/h4-10,12H,2-3,11H2,1H3,(H,20,22,23).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 4.32, 7 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-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 24648214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).