ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate

C14H17N3O3S — CID 660248

IUPACethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1sc2nc(C)cc(C)c2c1N
InChIInChI=1S/C14H17N3O3S/c1-4-20-9(18)6-16-13(19)12-11(15)10-7(2)5-8(3)17-14(10)21-12/h5H,4,6,15H2,1-3H3,(H,16,19)
InChIKeyOHINHWQDFHOSJR-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.79
Rot. Bonds4

About ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate

ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate (PubChem CID 660248) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate
PubChem CID660248
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Nameethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1sc2nc(C)cc(C)c2c1N
InChIInChI=1S/C14H17N3O3S/c1-4-20-9(18)6-16-13(19)12-11(15)10-7(2)5-8(3)17-14(10)21-12/h5H,4,6,15H2,1-3H3,(H,16,19)
InChIKeyOHINHWQDFHOSJR-UHFFFAOYSA-N
XLogP1.79
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate (CID 660248) is ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1sc2nc(C)cc(C)c2c1N.
What is the InChIKey of ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate?
The InChIKey is OHINHWQDFHOSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-20-9(18)6-16-13(19)12-11(15)10-7(2)5-8(3)17-14(10)21-12/h5H,4,6,15H2,1-3H3,(H,16,19).
What are the key properties of ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate?
ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate has a molecular weight of 307.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 660248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).