5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide

C13H13BrN2O2S — CID 60793810

IUPAC5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide
SMILESCC(C)Oc1ncccc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-8(2)18-13-10(4-3-5-15-13)16-12(17)9-6-11(14)19-7-9/h3-8H,1-2H3,(H,16,17)
InChIKeyFHYSKQKJGWOEEZ-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.95
Rot. Bonds4

About 5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide

5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide (PubChem CID 60793810) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide
PubChem CID60793810
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide
SMILESCC(C)Oc1ncccc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-8(2)18-13-10(4-3-5-15-13)16-12(17)9-6-11(14)19-7-9/h3-8H,1-2H3,(H,16,17)
InChIKeyFHYSKQKJGWOEEZ-UHFFFAOYSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide
CID 60793096
5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 47243449
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
2,3-difluoro-N-(2-propan-2-yloxy-3-pyridinyl)benzamide
CID 62661805
4-fluoro-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)benzamide
CID 115745724
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
5-bromo-N-pyridin-2-ylthiophene-3-carboxamide
CID 25343632
5-bromo-N-(2-imidazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 47074108
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
CID 43806118
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
2-(aminomethyl)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 65229294

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide (CID 60793810) is 5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide is CC(C)Oc1ncccc1NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide?
The InChIKey is FHYSKQKJGWOEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-8(2)18-13-10(4-3-5-15-13)16-12(17)9-6-11(14)19-7-9/h3-8H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide?
5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide has a molecular weight of 341.23 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide is sourced from PubChem (CID 60793810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).