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

C17H20ClN3OS — CID 162390808

IUPAC2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c([C@@H](N)C(C)C)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C17H20ClN3OS/c1-9(2)14(19)16-10(3)15-17(23-16)12(7-13(18)21-15)20-8-11-5-4-6-22-11/h4-7,9,14H,8,19H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyRTRUQFALHPGXAN-AWEZNQCLSA-N
MW349.89 g/mol
LogP5.12
Rot. Bonds5

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

2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine (PubChem CID 162390808) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
PubChem CID162390808
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c([C@@H](N)C(C)C)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C17H20ClN3OS/c1-9(2)14(19)16-10(3)15-17(23-16)12(7-13(18)21-15)20-8-11-5-4-6-22-11/h4-7,9,14H,8,19H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyRTRUQFALHPGXAN-AWEZNQCLSA-N
XLogP5.12
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.89
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine with MolForge

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Related Compounds

1-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol
CID 155059859
2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 162391078
tert-butyl-[[(2S,3R)-3-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]butan-2-yl]amino]-oxidosulfanium
CID 175723577
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
2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915
2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 175189837
(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
2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride
CID 155059920
(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-[(1S,2R,5S,6S)-6-amino-2,5-dimethylcyclohex-3-en-1-yl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644875

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine (CID 162390808) is 2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine is Cc1c([C@@H](N)C(C)C)sc2c(NCc3ccco3)cc(Cl)nc12.
What is the InChIKey of 2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The InChIKey is RTRUQFALHPGXAN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-9(2)14(19)16-10(3)15-17(23-16)12(7-13(18)21-15)20-8-11-5-4-6-22-11/h4-7,9,14H,8,19H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine has a molecular weight of 349.89 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 162390808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).