4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide

C12H13BrN2O2S — CID 20594210

IUPAC4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc2c(Br)cncc2s1
InChIInChI=1S/C12H13BrN2O2S/c1-12(2,6-16)15-11(17)9-3-7-8(13)4-14-5-10(7)18-9/h3-5,16H,6H2,1-2H3,(H,15,17)
InChIKeyJXIYVQUSORJVOA-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.56
Rot. Bonds3

About 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide

4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 20594210) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID20594210
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc2c(Br)cncc2s1
InChIInChI=1S/C12H13BrN2O2S/c1-12(2,6-16)15-11(17)9-3-7-8(13)4-14-5-10(7)18-9/h3-5,16H,6H2,1-2H3,(H,15,17)
InChIKeyJXIYVQUSORJVOA-UHFFFAOYSA-N
XLogP2.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide (CID 20594210) is 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide is CC(C)(CO)NC(=O)c1cc2c(Br)cncc2s1.
What is the InChIKey of 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is JXIYVQUSORJVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c1-12(2,6-16)15-11(17)9-3-7-8(13)4-14-5-10(7)18-9/h3-5,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide?
4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 329.22 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 20594210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).