2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine

C23H29NOS — CID 22253368

IUPAC2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine
SMILESCCC(CC)c1c(C)sc2c(Oc3c(C)cc(C)cc3C)nc(C)cc12
InChIInChI=1S/C23H29NOS/c1-8-18(9-2)20-17(7)26-22-19(20)12-16(6)24-23(22)25-21-14(4)10-13(3)11-15(21)5/h10-12,18H,8-9H2,1-7H3
InChIKeyHHFGKODELAYGJF-UHFFFAOYSA-N
MW367.56 g/mol
LogP7.53
Rot. Bonds5

About 2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine

2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine (PubChem CID 22253368) has the molecular formula C23H29NOS and a molecular weight of 367.56 g/mol. Its IUPAC name is 2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine
PubChem CID22253368
Molecular FormulaC23H29NOS
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine
SMILESCCC(CC)c1c(C)sc2c(Oc3c(C)cc(C)cc3C)nc(C)cc12
InChIInChI=1S/C23H29NOS/c1-8-18(9-2)20-17(7)26-22-19(20)12-16(6)24-23(22)25-21-14(4)10-13(3)11-15(21)5/h10-12,18H,8-9H2,1-7H3
InChIKeyHHFGKODELAYGJF-UHFFFAOYSA-N
XLogP7.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.56
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine 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-Fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile
CID 24996557
2,3,7,8-Tetrapropyl-6-oxa-16-thia-4-azatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),2,4,7,9(14),10,12-heptaene
CID 155929960
2-amino-4-(4-methoxyphenyl)-7,9-dimethyl-4H-pyrano[3,4]thieno[1,3-b]pyridine-3-carbonitrile
CID 91897460
4-Imino-11,13-dimethyl-6-phenyl-3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carbonitrile
CID 145923383
Acetic acid, (1-methyl-3-pyrido[3,4-b]benzothienyl)ester
CID 612014
2,5-Dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine
CID 22474311
5-Methyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)thieno[3,2-b]pyridine
CID 22474384
2,5-Dimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)thieno[3,2-b]pyridine
CID 22474437
5-Methyl-7-pentoxy-3-(2,4,6-trimethylphenyl)thieno[3,2-b]pyridine
CID 57119221
2,5-Dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine
CID 57126800
2,5-Dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)thieno[3,2-b]pyridine
CID 57259916
3-Methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine
CID 58755529

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine?
The IUPAC name of 2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine (CID 22253368) is 2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine.
What is the SMILES notation for 2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine?
The canonical SMILES for 2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine is CCC(CC)c1c(C)sc2c(Oc3c(C)cc(C)cc3C)nc(C)cc12.
What is the InChIKey of 2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine?
The InChIKey is HHFGKODELAYGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NOS/c1-8-18(9-2)20-17(7)26-22-19(20)12-16(6)24-23(22)25-21-14(4)10-13(3)11-15(21)5/h10-12,18H,8-9H2,1-7H3.
What are the key properties of 2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine?
2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine has a molecular weight of 367.56 g/mol, XLogP of 7.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-pentan-3-yl-7-(2,4,6-trimethylphenoxy)thieno[2,3-c]pyridine is sourced from PubChem (CID 22253368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).