6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C17H13BrN4O2S — CID 55786845

IUPAC6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C17H13BrN4O2S/c18-12-4-6-13(7-5-12)24-14-8-3-11(9-19-14)15(23)20-17-22-21-16(25-17)10-1-2-10/h3-10H,1-2H2,(H,20,22,23)
InChIKeyMZXNLEDSRRVPKS-UHFFFAOYSA-N
MW417.29 g/mol
LogP4.62
Rot. Bonds5

About 6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 55786845) has the molecular formula C17H13BrN4O2S and a molecular weight of 417.29 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID55786845
Molecular FormulaC17H13BrN4O2S
Molecular Weight417.29 g/mol
Exact Mass415.99
IUPAC Name6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C17H13BrN4O2S/c18-12-4-6-13(7-5-12)24-14-8-3-11(9-19-14)15(23)20-17-22-21-16(25-17)10-1-2-10/h3-10H,1-2H2,(H,20,22,23)
InChIKeyMZXNLEDSRRVPKS-UHFFFAOYSA-N
XLogP4.62
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 51117837
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 18141584
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide
CID 78859395
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
4-bromo-N-[5-[4-(4-bromophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 155943213
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-pentoxybenzamide
CID 4501787
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide
CID 29411913
4-bromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
CID 8502998
6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 100623073

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 55786845) is 6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1ccc(Oc2ccc(Br)cc2)nc1.
What is the InChIKey of 6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is MZXNLEDSRRVPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2S/c18-12-4-6-13(7-5-12)24-14-8-3-11(9-19-14)15(23)20-17-22-21-16(25-17)10-1-2-10/h3-10H,1-2H2,(H,20,22,23).
What are the key properties of 6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 417.29 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55786845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).