3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine

C20H24N4O2S — CID 172582541

IUPAC3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine
SMILESC/N=C/c1cc(-c2ccc3ccsc3n2)cnc1N.COCC1CC(O)C1
InChIInChI=1S/C14H12N4S.C6H12O2/c1-16-7-11-6-10(8-17-13(11)15)12-3-2-9-4-5-19-14(9)18-12;1-8-4-5-2-6(7)3-5/h2-8H,1H3,(H2,15,17);5-7H,2-4H2,1H3/b16-7+;
InChIKeyPXJNXWDXQVEVEA-OYXUYBEVSA-N
MW384.51 g/mol
LogP3.39
Rot. Bonds4

About 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine

3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine (PubChem CID 172582541) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine.

Molecular Properties

Compound Name3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine
PubChem CID172582541
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine
SMILESC/N=C/c1cc(-c2ccc3ccsc3n2)cnc1N.COCC1CC(O)C1
InChIInChI=1S/C14H12N4S.C6H12O2/c1-16-7-11-6-10(8-17-13(11)15)12-3-2-9-4-5-19-14(9)18-12;1-8-4-5-2-6(7)3-5/h2-8H,1H3,(H2,15,17);5-7H,2-4H2,1H3/b16-7+;
InChIKeyPXJNXWDXQVEVEA-OYXUYBEVSA-N
XLogP3.39
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine?
The IUPAC name of 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine (CID 172582541) is 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine.
What is the SMILES notation for 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine?
The canonical SMILES for 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine is C/N=C/c1cc(-c2ccc3ccsc3n2)cnc1N.COCC1CC(O)C1.
What is the InChIKey of 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine?
The InChIKey is PXJNXWDXQVEVEA-OYXUYBEVSA-N. The full InChI is InChI=1S/C14H12N4S.C6H12O2/c1-16-7-11-6-10(8-17-13(11)15)12-3-2-9-4-5-19-14(9)18-12;1-8-4-5-2-6(7)3-5/h2-8H,1H3,(H2,15,17);5-7H,2-4H2,1H3/b16-7+;.
What are the key properties of 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine?
3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine has a molecular weight of 384.51 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine is sourced from PubChem (CID 172582541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).