3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol

C16H14N6S2 — CID 170737961

IUPAC3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol
SMILESCc1ncc(-c2cc(-c3cncnc3)nc3sc(S)c(N)c23)n1C
InChIInChI=1S/C16H14N6S2/c1-8-20-6-12(22(8)2)10-3-11(9-4-18-7-19-5-9)21-15-13(10)14(17)16(23)24-15/h3-7,23H,17H2,1-2H3
InChIKeyBJUGDAGXYOHUTA-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.33
Rot. Bonds2

About 3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol

3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol (PubChem CID 170737961) has the molecular formula C16H14N6S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol.

Molecular Properties

Compound Name3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol
PubChem CID170737961
Molecular FormulaC16H14N6S2
Molecular Weight354.46 g/mol
Exact Mass354.07
IUPAC Name3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol
SMILESCc1ncc(-c2cc(-c3cncnc3)nc3sc(S)c(N)c23)n1C
InChIInChI=1S/C16H14N6S2/c1-8-20-6-12(22(8)2)10-3-11(9-4-18-7-19-5-9)21-15-13(10)14(17)16(23)24-15/h3-7,23H,17H2,1-2H3
InChIKeyBJUGDAGXYOHUTA-UHFFFAOYSA-N
XLogP3.33
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol 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

3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol
CID 142485765
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
2-(4-chlorobutylsulfanyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 142367156
2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059038
4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129266591
[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutyl-hydroxysulfanium
CID 170737931
[3-amino-4-(1-methylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl]-cyclobutylmethanone
CID 167341606
2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfanyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;ethane
CID 144839690
2-cyclobutylsulfanyl-4-(2-methyl-4-pyridinyl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine
CID 170737936
2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
CID 142485771
4-methyl-6-pyrimidin-5-ylpyrimidin-2-amine
CID 39760892
1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921950

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol?
The IUPAC name of 3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol (CID 170737961) is 3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol.
What is the SMILES notation for 3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol?
The canonical SMILES for 3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol is Cc1ncc(-c2cc(-c3cncnc3)nc3sc(S)c(N)c23)n1C.
What is the InChIKey of 3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol?
The InChIKey is BJUGDAGXYOHUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S2/c1-8-20-6-12(22(8)2)10-3-11(9-4-18-7-19-5-9)21-15-13(10)14(17)16(23)24-15/h3-7,23H,17H2,1-2H3.
What are the key properties of 3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol?
3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol has a molecular weight of 354.46 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridine-2-thiol is sourced from PubChem (CID 170737961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).