5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C19H18N4OS — CID 11566479

IUPAC5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCc1c(C)nc2sc(-c3nnc(-c4ccccc4)o3)c(N)c2c1C
InChIInChI=1S/C19H18N4OS/c1-4-13-10(2)14-15(20)16(25-19(14)21-11(13)3)18-23-22-17(24-18)12-8-6-5-7-9-12/h5-9H,4,20H2,1-3H3
InChIKeyWKDAYOJPZCZGCH-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.77
Rot. Bonds3

About 5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine

5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 11566479) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID11566479
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCc1c(C)nc2sc(-c3nnc(-c4ccccc4)o3)c(N)c2c1C
InChIInChI=1S/C19H18N4OS/c1-4-13-10(2)14-15(20)16(25-19(14)21-11(13)3)18-23-22-17(24-18)12-8-6-5-7-9-12/h5-9H,4,20H2,1-3H3
InChIKeyWKDAYOJPZCZGCH-UHFFFAOYSA-N
XLogP4.77
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 11566479) is 5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCc1c(C)nc2sc(-c3nnc(-c4ccccc4)o3)c(N)c2c1C.
What is the InChIKey of 5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is WKDAYOJPZCZGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-4-13-10(2)14-15(20)16(25-19(14)21-11(13)3)18-23-22-17(24-18)12-8-6-5-7-9-12/h5-9H,4,20H2,1-3H3.
What are the key properties of 5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 350.45 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 11566479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).