[3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone

C14H18N4O3S — CID 71088670

IUPAC[3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c2c(N)c(OCN)sc2n1
InChIInChI=1S/C14H18N4O3S/c1-8-6-9(13(19)18-2-4-20-5-3-18)10-11(16)14(21-7-15)22-12(10)17-8/h6H,2-5,7,15-16H2,1H3
InChIKeyYKWYYWVFKVHMCD-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.95
Rot. Bonds3

About [3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone

[3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone (PubChem CID 71088670) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is [3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone
PubChem CID71088670
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name[3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c2c(N)c(OCN)sc2n1
InChIInChI=1S/C14H18N4O3S/c1-8-6-9(13(19)18-2-4-20-5-3-18)10-11(16)14(21-7-15)22-12(10)17-8/h6H,2-5,7,15-16H2,1H3
InChIKeyYKWYYWVFKVHMCD-UHFFFAOYSA-N
XLogP0.95
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone (CID 71088670) is [3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCOCC2)c2c(N)c(OCN)sc2n1.
What is the InChIKey of [3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YKWYYWVFKVHMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-8-6-9(13(19)18-2-4-20-5-3-18)10-11(16)14(21-7-15)22-12(10)17-8/h6H,2-5,7,15-16H2,1H3.
What are the key properties of [3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone?
[3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 322.39 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71088670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).