6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C14H9BrN4O2S — CID 51117837

IUPAC6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C14H9BrN4O2S/c15-10-2-4-11(5-3-10)21-12-6-1-9(7-16-12)13(20)18-14-19-17-8-22-14/h1-8H,(H,18,19,20)
InChIKeyUWOSVSZHTKMWNV-UHFFFAOYSA-N
MW377.22 g/mol
LogP3.74
Rot. Bonds4

About 6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 51117837) has the molecular formula C14H9BrN4O2S and a molecular weight of 377.22 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID51117837
Molecular FormulaC14H9BrN4O2S
Molecular Weight377.22 g/mol
Exact Mass375.96
IUPAC Name6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C14H9BrN4O2S/c15-10-2-4-11(5-3-10)21-12-6-1-9(7-16-12)13(20)18-14-19-17-8-22-14/h1-8H,(H,18,19,20)
InChIKeyUWOSVSZHTKMWNV-UHFFFAOYSA-N
XLogP3.74
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 55786845
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133328992
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
6-(4-bromophenoxy)-N-[3-(thiophene-2-carbonylamino)propyl]pyridine-3-carboxamide
CID 60610306
6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55786958
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide
CID 112834310
4-bromo-N-[5-[4-(4-bromophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 155943213
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511
6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329302
6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide
CID 87017609

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 51117837) is 6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(Oc2ccc(Br)cc2)nc1.
What is the InChIKey of 6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is UWOSVSZHTKMWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4O2S/c15-10-2-4-11(5-3-10)21-12-6-1-9(7-16-12)13(20)18-14-19-17-8-22-14/h1-8H,(H,18,19,20).
What are the key properties of 6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 377.22 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 51117837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).