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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Related Compounds

3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine
CID 117164520
4-amino-5-(1-methylbenzimidazol-2-yl)-3-prop-2-enyl-1,3-thiazole-2-thione
CID 890823
2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506
CID 59879728
CID 59879728
5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine
CID 164705835
4-amino-5-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1,3-thiazole-2-thione
CID 4640407
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
2-[3-fluoro-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391315
3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
CID 59336473
2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391310

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).