2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol

C16H17ClN2O2S — CID 162391078

IUPAC2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol
SMILESCc1c(C(C)CO)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C16H17ClN2O2S/c1-9(8-20)15-10(2)14-16(22-15)12(6-13(17)19-14)18-7-11-4-3-5-21-11/h3-6,9,20H,7-8H2,1-2H3,(H,18,19)
InChIKeyNNIOJVXKZMGOQL-UHFFFAOYSA-N
MW336.84 g/mol
LogP4.56
Rot. Bonds5

About 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol

2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol (PubChem CID 162391078) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol
PubChem CID162391078
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol
SMILESCc1c(C(C)CO)sc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C16H17ClN2O2S/c1-9(8-20)15-10(2)14-16(22-15)12(6-13(17)19-14)18-7-11-4-3-5-21-11/h3-6,9,20H,7-8H2,1-2H3,(H,18,19)
InChIKeyNNIOJVXKZMGOQL-UHFFFAOYSA-N
XLogP4.56
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol 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-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390808
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-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 175189837
(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)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915
(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
CID 170644357
CID 170644357

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol?
The IUPAC name of 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol (CID 162391078) is 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol.
What is the SMILES notation for 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol?
The canonical SMILES for 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol is Cc1c(C(C)CO)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]propan-1-ol?
The InChIKey is NNIOJVXKZMGOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-9(8-20)15-10(2)14-16(22-15)12(6-13(17)19-14)18-7-11-4-3-5-21-11/h3-6,9,20H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol?
2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol has a molecular weight of 336.84 g/mol, XLogP of 4.56, 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]propan-1-ol is sourced from PubChem (CID 162391078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).