2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride

C15H15Cl4N3O3S — CID 155059920

IUPAC2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride
SMILESCl.Cl.NC(Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Cl)C(=O)O
InChIInChI=1S/C15H13Cl2N3O3S.2ClH/c16-11-5-9(19-6-7-2-1-3-23-7)14-13(20-11)12(17)10(24-14)4-8(18)15(21)22;;/h1-3,5,8H,4,6,18H2,(H,19,20)(H,21,22);2*1H
InChIKeyZVJLEQUNGYVQGU-UHFFFAOYSA-N
MW459.18 g/mol
LogP4.61
Rot. Bonds6

About 2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride

2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride (PubChem CID 155059920) has the molecular formula C15H15Cl4N3O3S and a molecular weight of 459.18 g/mol. Its IUPAC name is 2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride
PubChem CID155059920
Molecular FormulaC15H15Cl4N3O3S
Molecular Weight459.18 g/mol
Exact Mass456.96
IUPAC Name2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride
SMILESCl.Cl.NC(Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Cl)C(=O)O
InChIInChI=1S/C15H13Cl2N3O3S.2ClH/c16-11-5-9(19-6-7-2-1-3-23-7)14-13(20-11)12(17)10(24-14)4-8(18)15(21)22;;/h1-3,5,8H,4,6,18H2,(H,19,20)(H,21,22);2*1H
InChIKeyZVJLEQUNGYVQGU-UHFFFAOYSA-N
XLogP4.61
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.18
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride 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

(2R)-2-amino-N-(4-chlorophenyl)-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanamide;hydrochloride
CID 155059994
2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]-N-(2-fluorophenyl)propanamide
CID 175190948
(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 162390857
(2R)-2-amino-3-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;dihydrochloride
CID 162390821
2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 175189837
2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162391107
2-[(2S)-2-amino-4-fluorobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390990
2-[(2R)-2-amino-3-isocyanopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 164755990
3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butanenitrile
CID 155059858
2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390808
2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644917
1-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol
CID 155059859

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride?
The IUPAC name of 2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride (CID 155059920) is 2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride.
What is the SMILES notation for 2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride?
The canonical SMILES for 2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride is Cl.Cl.NC(Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Cl)C(=O)O.
What is the InChIKey of 2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride?
The InChIKey is ZVJLEQUNGYVQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3S.2ClH/c16-11-5-9(19-6-7-2-1-3-23-7)14-13(20-11)12(17)10(24-14)4-8(18)15(21)22;;/h1-3,5,8H,4,6,18H2,(H,19,20)(H,21,22);2*1H.
What are the key properties of 2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride?
2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride has a molecular weight of 459.18 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride is sourced from PubChem (CID 155059920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).