5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile

C13H8ClN3OS — CID 154681219

IUPAC5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile
SMILESN#Cc1csc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C13H8ClN3OS/c14-11-4-10(16-6-9-2-1-3-18-9)13-12(17-11)8(5-15)7-19-13/h1-4,7H,6H2,(H,16,17)
InChIKeyVGCWISIHLRFBOJ-UHFFFAOYSA-N
MW289.75 g/mol
LogP4.03
Rot. Bonds3

About 5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile

5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile (PubChem CID 154681219) has the molecular formula C13H8ClN3OS and a molecular weight of 289.75 g/mol. Its IUPAC name is 5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile
PubChem CID154681219
Molecular FormulaC13H8ClN3OS
Molecular Weight289.75 g/mol
Exact Mass289.01
IUPAC Name5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile
SMILESN#Cc1csc2c(NCc3ccco3)cc(Cl)nc12
InChIInChI=1S/C13H8ClN3OS/c14-11-4-10(16-6-9-2-1-3-18-9)13-12(17-11)8(5-15)7-19-13/h1-4,7H,6H2,(H,16,17)
InChIKeyVGCWISIHLRFBOJ-UHFFFAOYSA-N
XLogP4.03
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane
CID 170644231
3-amino-4-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butanenitrile
CID 155059858
5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine
CID 170644962
1-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol
CID 155059859
N-benzyl-5-chloro-3-prop-1-ynylthieno[3,2-b]pyridin-7-amine
CID 170644169
2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390808
2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride
CID 155059920
2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 175189837
2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol
CID 162391078
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,3S)-3-aminooxan-2-yl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644716
(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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile (CID 154681219) is 5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile is N#Cc1csc2c(NCc3ccco3)cc(Cl)nc12.
What is the InChIKey of 5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile?
The InChIKey is VGCWISIHLRFBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3OS/c14-11-4-10(16-6-9-2-1-3-18-9)13-12(17-11)8(5-15)7-19-13/h1-4,7H,6H2,(H,16,17).
What are the key properties of 5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile?
5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile has a molecular weight of 289.75 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 154681219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).