4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione

C16H13N5S2 — CID 10712138

IUPAC4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione
SMILESCn1c(-c2sc(=S)n(-c3ccccc3)c2N)nc2cccnc21
InChIInChI=1S/C16H13N5S2/c1-20-14-11(8-5-9-18-14)19-15(20)12-13(17)21(16(22)23-12)10-6-3-2-4-7-10/h2-9H,17H2,1H3
InChIKeyMFJKQISREGFNTK-UHFFFAOYSA-N
MW339.45 g/mol
LogP3.80
Rot. Bonds2

About 4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione

4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione (PubChem CID 10712138) has the molecular formula C16H13N5S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione
PubChem CID10712138
Molecular FormulaC16H13N5S2
Molecular Weight339.45 g/mol
Exact Mass339.06
IUPAC Name4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione
SMILESCn1c(-c2sc(=S)n(-c3ccccc3)c2N)nc2cccnc21
InChIInChI=1S/C16H13N5S2/c1-20-14-11(8-5-9-18-14)19-15(20)12-13(17)21(16(22)23-12)10-6-3-2-4-7-10/h2-9H,17H2,1H3
InChIKeyMFJKQISREGFNTK-UHFFFAOYSA-N
XLogP3.80
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione?
The IUPAC name of 4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione (CID 10712138) is 4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione.
What is the SMILES notation for 4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione?
The canonical SMILES for 4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione is Cn1c(-c2sc(=S)n(-c3ccccc3)c2N)nc2cccnc21.
What is the InChIKey of 4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione?
The InChIKey is MFJKQISREGFNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S2/c1-20-14-11(8-5-9-18-14)19-15(20)12-13(17)21(16(22)23-12)10-6-3-2-4-7-10/h2-9H,17H2,1H3.
What are the key properties of 4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione?
4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione has a molecular weight of 339.45 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione is sourced from PubChem (CID 10712138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).