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

C15H16ClN3O2S — CID 155059876

IUPAC(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol
SMILESN[C@@H](CO)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1
InChIInChI=1S/C15H16ClN3O2S/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)/t9-/m1/s1
InChIKeyXNTVNVWACPQKAE-SECBINFHSA-N
MW337.83 g/mol
LogP3.02
Rot. Bonds6

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

(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol (PubChem CID 155059876) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 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.

Molecular Properties

Compound Name(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol
PubChem CID155059876
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol
SMILESN[C@@H](CO)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1
InChIInChI=1S/C15H16ClN3O2S/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)/t9-/m1/s1
InChIKeyXNTVNVWACPQKAE-SECBINFHSA-N
XLogP3.02
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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?
The IUPAC name of (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol (CID 155059876) is (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol.
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?
The canonical SMILES for (2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol is 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?
The InChIKey is XNTVNVWACPQKAE-SECBINFHSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/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)/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?
(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol has a molecular weight of 337.83 g/mol, XLogP of 3.02, 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 is sourced from PubChem (CID 155059876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).