3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide

C13H15N3O2S — CID 82736013

IUPAC3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC1OCCC1NC(=O)c1sc2ncccc2c1N
InChIInChI=1S/C13H15N3O2S/c1-7-9(4-6-18-7)16-12(17)11-10(14)8-3-2-5-15-13(8)19-11/h2-3,5,7,9H,4,6,14H2,1H3,(H,16,17)
InChIKeyDRTHBIVJEXOLAP-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.79
Rot. Bonds2

About 3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 82736013) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID82736013
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC1OCCC1NC(=O)c1sc2ncccc2c1N
InChIInChI=1S/C13H15N3O2S/c1-7-9(4-6-18-7)16-12(17)11-10(14)8-3-2-5-15-13(8)19-11/h2-3,5,7,9H,4,6,14H2,1H3,(H,16,17)
InChIKeyDRTHBIVJEXOLAP-UHFFFAOYSA-N
XLogP1.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 82736013) is 3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide is CC1OCCC1NC(=O)c1sc2ncccc2c1N.
What is the InChIKey of 3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DRTHBIVJEXOLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7-9(4-6-18-7)16-12(17)11-10(14)8-3-2-5-15-13(8)19-11/h2-3,5,7,9H,4,6,14H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyloxolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 82736013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).