2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine

C21H19NS2 — CID 139454724

IUPAC2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine
SMILESCCCc1ccc(-c2cc(-c3cccs3)nc3sc(C)cc23)cc1
InChIInChI=1S/C21H19NS2/c1-3-5-15-7-9-16(10-8-15)17-13-19(20-6-4-11-23-20)22-21-18(17)12-14(2)24-21/h4,6-13H,3,5H2,1-2H3
InChIKeyBRJOBOJOVDVZHT-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.95
Rot. Bonds4

About 2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine

2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine (PubChem CID 139454724) has the molecular formula C21H19NS2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine
PubChem CID139454724
Molecular FormulaC21H19NS2
Molecular Weight349.52 g/mol
Exact Mass349.10
IUPAC Name2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine
SMILESCCCc1ccc(-c2cc(-c3cccs3)nc3sc(C)cc23)cc1
InChIInChI=1S/C21H19NS2/c1-3-5-15-7-9-16(10-8-15)17-13-19(20-6-4-11-23-20)22-21-18(17)12-14(2)24-21/h4,6-13H,3,5H2,1-2H3
InChIKeyBRJOBOJOVDVZHT-UHFFFAOYSA-N
XLogP6.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine
CID 135387346
2-(2-methyl-4-propylphenyl)thiophene
CID 163647505
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
propyl 3-methyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
CID 155786799
6-methyl-4-thiophen-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334108
4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene
CID 126765639
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
2-octylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 3337992
2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanol
CID 94267224
[4-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)phenyl]methyl 2-(dimethylamino)acetate
CID 129266602
N-[(4-butylphenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 46100340
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine (CID 139454724) is 2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine is CCCc1ccc(-c2cc(-c3cccs3)nc3sc(C)cc23)cc1.
What is the InChIKey of 2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine?
The InChIKey is BRJOBOJOVDVZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NS2/c1-3-5-15-7-9-16(10-8-15)17-13-19(20-6-4-11-23-20)22-21-18(17)12-14(2)24-21/h4,6-13H,3,5H2,1-2H3.
What are the key properties of 2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine?
2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine has a molecular weight of 349.52 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 139454724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).