3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane

C16H24N2O2S — CID 143185664

IUPAC3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane
SMILESCCc1c(C)nc2sc(C=O)c(N)c2c1C.COC(C)C
InChIInChI=1S/C12H14N2OS.C4H10O/c1-4-8-6(2)10-11(13)9(5-15)16-12(10)14-7(8)3;1-4(2)5-3/h5H,4,13H2,1-3H3;4H,1-3H3
InChIKeyTZTZQCYLDCAYAV-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.91
Rot. Bonds3

About 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane

3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane (PubChem CID 143185664) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane.

Molecular Properties

Compound Name3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane
PubChem CID143185664
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane
SMILESCCc1c(C)nc2sc(C=O)c(N)c2c1C.COC(C)C
InChIInChI=1S/C12H14N2OS.C4H10O/c1-4-8-6(2)10-11(13)9(5-15)16-12(10)14-7(8)3;1-4(2)5-3/h5H,4,13H2,1-3H3;4H,1-3H3
InChIKeyTZTZQCYLDCAYAV-UHFFFAOYSA-N
XLogP3.91
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-b]pyridin-3-amine
CID 143185757
3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
CID 3689734
3-amino-5-ethoxy-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxy-2-methylpropane;1-methylazepane
CID 143185737
(3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 5037870
5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine
CID 143295061
3-amino-5-ethyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 58318955
3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde
CID 143185819
3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine
CID 143064281
(5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol
CID 125454578
3-amino-8-propyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carbaldehyde
CID 166975756
5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 11566479
propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate
CID 888534

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane?
The IUPAC name of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane (CID 143185664) is 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane.
What is the SMILES notation for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane?
The canonical SMILES for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane is CCc1c(C)nc2sc(C=O)c(N)c2c1C.COC(C)C.
What is the InChIKey of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane?
The InChIKey is TZTZQCYLDCAYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS.C4H10O/c1-4-8-6(2)10-11(13)9(5-15)16-12(10)14-7(8)3;1-4(2)5-3/h5H,4,13H2,1-3H3;4H,1-3H3.
What are the key properties of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane?
3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane has a molecular weight of 308.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbaldehyde;2-methoxypropane is sourced from PubChem (CID 143185664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).