3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

C12H11BrN4O2S — CID 166306951

IUPAC3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nnc(C2CCOC2)s1)c1ccncc1Br
InChIInChI=1S/C12H11BrN4O2S/c13-9-5-14-3-1-8(9)10(18)15-12-17-16-11(20-12)7-2-4-19-6-7/h1,3,5,7H,2,4,6H2,(H,15,17,18)
InChIKeyUQZSDJLDVNJEBS-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.45
Rot. Bonds3

About 3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (PubChem CID 166306951) has the molecular formula C12H11BrN4O2S and a molecular weight of 355.22 g/mol. Its IUPAC name is 3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
PubChem CID166306951
Molecular FormulaC12H11BrN4O2S
Molecular Weight355.22 g/mol
Exact Mass353.98
IUPAC Name3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nnc(C2CCOC2)s1)c1ccncc1Br
InChIInChI=1S/C12H11BrN4O2S/c13-9-5-14-3-1-8(9)10(18)15-12-17-16-11(20-12)7-2-4-19-6-7/h1,3,5,7H,2,4,6H2,(H,15,17,18)
InChIKeyUQZSDJLDVNJEBS-UHFFFAOYSA-N
XLogP2.45
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 86962950
1-[(1R,2S)-2-(2-bromo-6-fluorophenyl)cyclopropyl]-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 167917224
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea
CID 166306171
4-bromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
CID 8502998
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 19205259
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 1035124
N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 82176626

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (CID 166306951) is 3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nnc(C2CCOC2)s1)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is UQZSDJLDVNJEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2S/c13-9-5-14-3-1-8(9)10(18)15-12-17-16-11(20-12)7-2-4-19-6-7/h1,3,5,7H,2,4,6H2,(H,15,17,18).
What are the key properties of 3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 355.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 166306951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).