2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane

C17H22ClN3OS — CID 154681200

IUPAC2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane
SMILESCC.Cc1c(CCN)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C15H16ClN3OS.C2H6/c1-9-12(4-5-17)21-15-11(7-13(16)19-14(9)15)18-8-10-3-2-6-20-10;1-2/h2-3,6-7H,4-5,8,17H2,1H3,(H,18,19);1-2H3
InChIKeyRAMFEYIIMKLTOF-UHFFFAOYSA-N
MW351.90 g/mol
LogP4.99
Rot. Bonds5

About 2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane

2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane (PubChem CID 154681200) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane
PubChem CID154681200
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC Name2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane
SMILESCC.Cc1c(CCN)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C15H16ClN3OS.C2H6/c1-9-12(4-5-17)21-15-11(7-13(16)19-14(9)15)18-8-10-3-2-6-20-10;1-2/h2-3,6-7H,4-5,8,17H2,1H3,(H,18,19);1-2H3
InChIKeyRAMFEYIIMKLTOF-UHFFFAOYSA-N
XLogP4.99
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 734374
CID 734374
CID 16008868
CID 16008868
CID 16195321
CID 16195321
CID 16009124
CID 16009124
CID 3001674
CID 3001674
CID 672045
CID 672045
CID 1000972
CID 1000972
CID 45106253
CID 45106253
CID 139215201
CID 139215201
CID 156473985
CID 156473985
CID 156473987
CID 156473987
CID 162390830
CID 162390830

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane?
The IUPAC name of 2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane (CID 154681200) is 2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane.
What is the SMILES notation for 2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane?
The canonical SMILES for 2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane is CC.Cc1c(CCN)sc2c(NCc3ccco3)cc(Cl)nc12.
What is the InChIKey of 2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane?
The InChIKey is RAMFEYIIMKLTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS.C2H6/c1-9-12(4-5-17)21-15-11(7-13(16)19-14(9)15)18-8-10-3-2-6-20-10;1-2/h2-3,6-7H,4-5,8,17H2,1H3,(H,18,19);1-2H3.
What are the key properties of 2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane?
2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane has a molecular weight of 351.90 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;ethane is sourced from PubChem (CID 154681200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).