3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide

C16H15N3O3S — CID 25004567

IUPAC3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(Oc3ccc(CCO)cc3)c2c1N
InChIInChI=1S/C16H15N3O3S/c17-13-12-11(5-7-19-16(12)23-14(13)15(18)21)22-10-3-1-9(2-4-10)6-8-20/h1-5,7,20H,6,8,17H2,(H2,18,21)
InChIKeyTUSRAUHENMRLIO-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.30
Rot. Bonds5

About 3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 25004567) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID25004567
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(Oc3ccc(CCO)cc3)c2c1N
InChIInChI=1S/C16H15N3O3S/c17-13-12-11(5-7-19-16(12)23-14(13)15(18)21)22-10-3-1-9(2-4-10)6-8-20/h1-5,7,20H,6,8,17H2,(H2,18,21)
InChIKeyTUSRAUHENMRLIO-UHFFFAOYSA-N
XLogP2.30
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide (CID 25004567) is 3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nccc(Oc3ccc(CCO)cc3)c2c1N.
What is the InChIKey of 3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is TUSRAUHENMRLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c17-13-12-11(5-7-19-16(12)23-14(13)15(18)21)22-10-3-1-9(2-4-10)6-8-20/h1-5,7,20H,6,8,17H2,(H2,18,21).
What are the key properties of 3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 25004567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).