6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine

C21H17NS — CID 141284004

IUPAC6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine
SMILESCc1ccc(-c2cc(C)nc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C21H17NS/c1-14-8-10-17(11-9-14)18-12-15(2)22-21-20(18)19(13-23-21)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyGVWGHIXCLTZIPR-UHFFFAOYSA-N
MW315.44 g/mol
LogP6.25
Rot. Bonds2

About 6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine

6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine (PubChem CID 141284004) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine
PubChem CID141284004
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine
SMILESCc1ccc(-c2cc(C)nc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C21H17NS/c1-14-8-10-17(11-9-14)18-12-15(2)22-21-20(18)19(13-23-21)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyGVWGHIXCLTZIPR-UHFFFAOYSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine
CID 129096994
3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile
CID 749426
4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066336
2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055587
2-tert-butyl-5-phenylthieno[2,3-d][1,3]thiazine-4-thione
CID 53364475
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7171575
3-(2-bromoethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 82027815
4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 142708641
(2,4-dimethylphenyl)methyl-methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium
CID 8784734
11-methyl-13-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine
CID 13297345

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine?
The IUPAC name of 6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine (CID 141284004) is 6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine.
What is the SMILES notation for 6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine?
The canonical SMILES for 6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine is Cc1ccc(-c2cc(C)nc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of 6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine?
The InChIKey is GVWGHIXCLTZIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS/c1-14-8-10-17(11-9-14)18-12-15(2)22-21-20(18)19(13-23-21)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of 6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine?
6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine has a molecular weight of 315.44 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine is sourced from PubChem (CID 141284004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).