5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine

C29H30N2O3S2 — CID 158591338

IUPAC5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine
SMILESCOc1ccc2[nH]c(C)cc2c1.COc1ccc2sc(C)cc2c1.COc1cnc2cc(C)sc2c1
InChIInChI=1S/C10H11NO.C10H10OS.C9H9NOS/c1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-6-3-8-9(12-6)4-7(11-2)5-10-8/h3-6,11H,1-2H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyHUMCINNNRDPDLC-UHFFFAOYSA-N
MW518.70 g/mol
LogP8.32
Rot. Bonds3

About 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine

5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine (PubChem CID 158591338) has the molecular formula C29H30N2O3S2 and a molecular weight of 518.70 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine
PubChem CID158591338
Molecular FormulaC29H30N2O3S2
Molecular Weight518.70 g/mol
Exact Mass518.17
IUPAC Name5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine
SMILESCOc1ccc2[nH]c(C)cc2c1.COc1ccc2sc(C)cc2c1.COc1cnc2cc(C)sc2c1
InChIInChI=1S/C10H11NO.C10H10OS.C9H9NOS/c1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-6-3-8-9(12-6)4-7(11-2)5-10-8/h3-6,11H,1-2H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyHUMCINNNRDPDLC-UHFFFAOYSA-N
XLogP8.32
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]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-[(2S)-2-amino-3-[(5-{thieno[2,3-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 10216158
3-[(2S)-2-amino-3-[(5-{thieno[3,2-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647539
4-[3-(1H-indol-6-yl)-5-methoxy-1-benzothiophen-2-yl]-N,N-dimethylaniline
CID 44202212
(S)-1-(1H-Indol-4-yloxy)-3-[4-(5-methoxy-benzo[b]thiophen-2-yl)-piperidin-1-yl]-propan-2-ol
CID 44299672
N-[(2S)-1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-yl]thieno[2,3-c]pyridin-2-amine
CID 44412808
N-[(2S)-1-(1H-indol-3-yl)-3-[(5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-yl]thieno[3,2-c]pyridin-2-amine
CID 44412822
5-methoxy-2-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole
CID 44438828
5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 155517238
5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 155544392
1-(1H-indol-3-yl)-3-[(5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
CID 49830599
1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
CID 22607792
5-methoxy-3-[(1-methylpiperidin-4-yl)thio]-1H-indole
CID 19936654

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine?
The IUPAC name of 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine (CID 158591338) is 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine.
What is the SMILES notation for 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine?
The canonical SMILES for 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine is COc1ccc2[nH]c(C)cc2c1.COc1ccc2sc(C)cc2c1.COc1cnc2cc(C)sc2c1.
What is the InChIKey of 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine?
The InChIKey is HUMCINNNRDPDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C10H10OS.C9H9NOS/c1-7-5-8-6-9(12-2)3-4-10(8)11-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-6-3-8-9(12-6)4-7(11-2)5-10-8/h3-6,11H,1-2H3;3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine?
5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine has a molecular weight of 518.70 g/mol, XLogP of 8.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1-benzothiophene;5-methoxy-2-methyl-1H-indole;6-methoxy-2-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 158591338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).