3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol

C16H13N5S2 — CID 142485765

IUPAC3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol
SMILESCn1cncc1-c1cc(-c2cccnc2)nc2sc(S)c(N)c12
InChIInChI=1S/C16H13N5S2/c1-21-8-19-7-12(21)10-5-11(9-3-2-4-18-6-9)20-15-13(10)14(17)16(22)23-15/h2-8,22H,17H2,1H3
InChIKeyAQSACXUXNWWPFE-UHFFFAOYSA-N
MW339.45 g/mol
LogP3.63
Rot. Bonds2

About 3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol

3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol (PubChem CID 142485765) has the molecular formula C16H13N5S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol.

Molecular Properties

Compound Name3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol
PubChem CID142485765
Molecular FormulaC16H13N5S2
Molecular Weight339.45 g/mol
Exact Mass339.06
IUPAC Name3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol
SMILESCn1cncc1-c1cc(-c2cccnc2)nc2sc(S)c(N)c12
InChIInChI=1S/C16H13N5S2/c1-21-8-19-7-12(21)10-5-11(9-3-2-4-18-6-9)20-15-13(10)14(17)16(22)23-15/h2-8,22H,17H2,1H3
InChIKeyAQSACXUXNWWPFE-UHFFFAOYSA-N
XLogP3.63
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol
CID 170737961
(3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 46243657
3-amino-6-phenyl-4-pyridin-3-ylthieno[2,3-b]pyridine-2-carbonitrile
CID 10664042
2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
CID 142485771
2-[3-amino-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]sulfinylethanol
CID 160716960
6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 142485827
2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine
CID 161328205
3-(3-amino-2-butylsulfinyl-6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)benzonitrile
CID 142485898
1-methyl-5-(2-phenylphenyl)imidazole
CID 50949205
6-pyridin-3-ylpyrimidine-2,4-diamine
CID 90189944
2-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 83709189
3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 14113060

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol?
The IUPAC name of 3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol (CID 142485765) is 3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol.
What is the SMILES notation for 3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol?
The canonical SMILES for 3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol is Cn1cncc1-c1cc(-c2cccnc2)nc2sc(S)c(N)c12.
What is the InChIKey of 3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol?
The InChIKey is AQSACXUXNWWPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S2/c1-21-8-19-7-12(21)10-5-11(9-3-2-4-18-6-9)20-15-13(10)14(17)16(22)23-15/h2-8,22H,17H2,1H3.
What are the key properties of 3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol?
3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol has a molecular weight of 339.45 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol is sourced from PubChem (CID 142485765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).