2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride

C15H17Cl2N3OS — CID 155059850

IUPAC2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride
SMILESCc1c([C@H](C)N)sc2c(NCc3ccco3)cc(Cl)nc12.Cl
InChIInChI=1S/C15H16ClN3OS.ClH/c1-8-13-15(21-14(8)9(2)17)11(6-12(16)19-13)18-7-10-4-3-5-20-10;/h3-6,9H,7,17H2,1-2H3,(H,18,19);1H/t9-;/m0./s1
InChIKeyGOLNRCMKVOMXSJ-FVGYRXGTSA-N
MW358.29 g/mol
LogP4.90
Rot. Bonds4

About 2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride

2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride (PubChem CID 155059850) has the molecular formula C15H17Cl2N3OS and a molecular weight of 358.29 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride
PubChem CID155059850
Molecular FormulaC15H17Cl2N3OS
Molecular Weight358.29 g/mol
Exact Mass357.05
IUPAC Name2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride
SMILESCc1c([C@H](C)N)sc2c(NCc3ccco3)cc(Cl)nc12.Cl
InChIInChI=1S/C15H16ClN3OS.ClH/c1-8-13-15(21-14(8)9(2)17)11(6-12(16)19-13)18-7-10-4-3-5-20-10;/h3-6,9H,7,17H2,1-2H3,(H,18,19);1H/t9-;/m0./s1
InChIKeyGOLNRCMKVOMXSJ-FVGYRXGTSA-N
XLogP4.90
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.90
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-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride?
The IUPAC name of 2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride (CID 155059850) is 2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride is Cc1c([C@H](C)N)sc2c(NCc3ccco3)cc(Cl)nc12.Cl.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride?
The InChIKey is GOLNRCMKVOMXSJ-FVGYRXGTSA-N. The full InChI is InChI=1S/C15H16ClN3OS.ClH/c1-8-13-15(21-14(8)9(2)17)11(6-12(16)19-13)18-7-10-4-3-5-20-10;/h3-6,9H,7,17H2,1-2H3,(H,18,19);1H/t9-;/m0./s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride?
2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride has a molecular weight of 358.29 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;hydrochloride is sourced from PubChem (CID 155059850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).