N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

C12H14N2O3S — CID 54729680

IUPACN-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCC(C)(C)NC(=O)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C12H14N2O3S/c1-12(2,3)14-11(17)7-8(15)9-6(4-5-18-9)13-10(7)16/h4-5H,1-3H3,(H,14,17)(H2,13,15,16)
InChIKeyCBYCNKUFJKVWNH-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.82
Rot. Bonds1

About N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54729680) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54729680
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCC(C)(C)NC(=O)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C12H14N2O3S/c1-12(2,3)14-11(17)7-8(15)9-6(4-5-18-9)13-10(7)16/h4-5H,1-3H3,(H,14,17)(H2,13,15,16)
InChIKeyCBYCNKUFJKVWNH-UHFFFAOYSA-N
XLogP1.82
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 54729680) is N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is CC(C)(C)NC(=O)c1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is CBYCNKUFJKVWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-12(2,3)14-11(17)7-8(15)9-6(4-5-18-9)13-10(7)16/h4-5H,1-3H3,(H,14,17)(H2,13,15,16).
What are the key properties of N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.82, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54729680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).