2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol

C15H15ClN2O2S — CID 155059992

IUPAC2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol
SMILESCc1c(CCO)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C15H15ClN2O2S/c1-9-12(4-5-19)21-15-11(7-13(16)18-14(9)15)17-8-10-3-2-6-20-10/h2-3,6-7,19H,4-5,8H2,1H3,(H,17,18)
InChIKeyLICJUVUSOURKCD-UHFFFAOYSA-N
MW322.82 g/mol
LogP4.00
Rot. Bonds5

About 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol

2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol (PubChem CID 155059992) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol
PubChem CID155059992
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol
SMILESCc1c(CCO)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C15H15ClN2O2S/c1-9-12(4-5-19)21-15-11(7-13(16)18-14(9)15)17-8-10-3-2-6-20-10/h2-3,6-7,19H,4-5,8H2,1H3,(H,17,18)
InChIKeyLICJUVUSOURKCD-UHFFFAOYSA-N
XLogP4.00
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol?
The IUPAC name of 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol (CID 155059992) is 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol?
The canonical SMILES for 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol is Cc1c(CCO)sc2c(NCc3ccco3)cc(Cl)nc12.
What is the InChIKey of 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol?
The InChIKey is LICJUVUSOURKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-9-12(4-5-19)21-15-11(7-13(16)18-14(9)15)17-8-10-3-2-6-20-10/h2-3,6-7,19H,4-5,8H2,1H3,(H,17,18).
What are the key properties of 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol?
2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol has a molecular weight of 322.82 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol is sourced from PubChem (CID 155059992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).