(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone

C18H17N3O2S — CID 23859637

IUPAC(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C18H17N3O2S/c19-15-13-6-7-14(12-4-2-1-3-5-12)20-17(13)24-16(15)18(22)21-8-10-23-11-9-21/h1-7H,8-11,19H2
InChIKeyRKNJAJMPJYSPDB-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.02
Rot. Bonds2

About (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone

(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone (PubChem CID 23859637) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone
PubChem CID23859637
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C18H17N3O2S/c19-15-13-6-7-14(12-4-2-1-3-5-12)20-17(13)24-16(15)18(22)21-8-10-23-11-9-21/h1-7H,8-11,19H2
InChIKeyRKNJAJMPJYSPDB-UHFFFAOYSA-N
XLogP3.02
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone (CID 23859637) is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone is Nc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)ccc12.
What is the InChIKey of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is RKNJAJMPJYSPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-15-13-6-7-14(12-4-2-1-3-5-12)20-17(13)24-16(15)18(22)21-8-10-23-11-9-21/h1-7H,8-11,19H2.
What are the key properties of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone?
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 339.42 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 23859637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).