(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride

C15H18Cl3N3O2S — CID 155060023

IUPAC(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride
SMILESCl.Cl.N[C@@H](CO)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1
InChIInChI=1S/C15H16ClN3O2S.2ClH/c16-14-6-12(18-7-10-2-1-3-21-10)15-13(19-14)5-11(22-15)4-9(17)8-20;;/h1-3,5-6,9,20H,4,7-8,17H2,(H,18,19);2*1H/t9-;;/m1../s1
InChIKeyQQGMCAOXGGXBFY-KLQYNRQASA-N
MW410.75 g/mol
LogP3.86
Rot. Bonds6

About (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride

(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride (PubChem CID 155060023) has the molecular formula C15H18Cl3N3O2S and a molecular weight of 410.75 g/mol. Its IUPAC name is (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride
PubChem CID155060023
Molecular FormulaC15H18Cl3N3O2S
Molecular Weight410.75 g/mol
Exact Mass409.02
IUPAC Name(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride
SMILESCl.Cl.N[C@@H](CO)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1
InChIInChI=1S/C15H16ClN3O2S.2ClH/c16-14-6-12(18-7-10-2-1-3-21-10)15-13(19-14)5-11(22-15)4-9(17)8-20;;/h1-3,5-6,9,20H,4,7-8,17H2,(H,18,19);2*1H/t9-;;/m1../s1
InChIKeyQQGMCAOXGGXBFY-KLQYNRQASA-N
XLogP3.86
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.75
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride 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 (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride?
The IUPAC name of (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride (CID 155060023) is (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride?
The canonical SMILES for (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride is Cl.Cl.N[C@@H](CO)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1.
What is the InChIKey of (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride?
The InChIKey is QQGMCAOXGGXBFY-KLQYNRQASA-N. The full InChI is InChI=1S/C15H16ClN3O2S.2ClH/c16-14-6-12(18-7-10-2-1-3-21-10)15-13(19-14)5-11(22-15)4-9(17)8-20;;/h1-3,5-6,9,20H,4,7-8,17H2,(H,18,19);2*1H/t9-;;/m1../s1.
What are the key properties of (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride?
(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride has a molecular weight of 410.75 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride is sourced from PubChem (CID 155060023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).