5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C20H18N4O2S — CID 88563846

IUPAC5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCOc1ncc(-c2ccc3nc(Nc4ccccc4)sc3n2)cc1OC
InChIInChI=1S/C20H18N4O2S/c1-3-26-18-17(25-2)11-13(12-21-18)15-9-10-16-19(23-15)27-20(24-16)22-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyRCKSLOXBNAXHOK-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.90
Rot. Bonds6

About 5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine

5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 88563846) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID88563846
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCOc1ncc(-c2ccc3nc(Nc4ccccc4)sc3n2)cc1OC
InChIInChI=1S/C20H18N4O2S/c1-3-26-18-17(25-2)11-13(12-21-18)15-9-10-16-19(23-15)27-20(24-16)22-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyRCKSLOXBNAXHOK-UHFFFAOYSA-N
XLogP4.90
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of 5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 88563846) is 5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for 5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for 5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine is CCOc1ncc(-c2ccc3nc(Nc4ccccc4)sc3n2)cc1OC.
What is the InChIKey of 5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is RCKSLOXBNAXHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-3-26-18-17(25-2)11-13(12-21-18)15-9-10-16-19(23-15)27-20(24-16)22-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,22,24).
What are the key properties of 5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 378.46 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 88563846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).