7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine

C11H13N3OS — CID 178080142

IUPAC7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine
SMILESC=C(OCC)c1c(N)cnc2sc(C)nc12
InChIInChI=1S/C11H13N3OS/c1-4-15-6(2)9-8(12)5-13-11-10(9)14-7(3)16-11/h5H,2,4,12H2,1,3H3
InChIKeyOPDDIJJJBCYTHE-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.59
Rot. Bonds3

About 7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine

7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine (PubChem CID 178080142) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound Name7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine
PubChem CID178080142
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine
SMILESC=C(OCC)c1c(N)cnc2sc(C)nc12
InChIInChI=1S/C11H13N3OS/c1-4-15-6(2)9-8(12)5-13-11-10(9)14-7(3)16-11/h5H,2,4,12H2,1,3H3
InChIKeyOPDDIJJJBCYTHE-UHFFFAOYSA-N
XLogP2.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine?
The IUPAC name of 7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine (CID 178080142) is 7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for 7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for 7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine is C=C(OCC)c1c(N)cnc2sc(C)nc12.
What is the InChIKey of 7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine?
The InChIKey is OPDDIJJJBCYTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-4-15-6(2)9-8(12)5-13-11-10(9)14-7(3)16-11/h5H,2,4,12H2,1,3H3.
What are the key properties of 7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine?
7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine has a molecular weight of 235.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethoxyethenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 178080142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).