2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide

C18H19N3OS — CID 3515111

IUPAC2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1
InChIInChI=1S/C18H19N3OS/c1-3-12(4-2)16(22)20-14-8-5-7-13(11-14)17-21-15-9-6-10-19-18(15)23-17/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyOSLSOKIKXASWMF-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.73
Rot. Bonds5

About 2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide

2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide (PubChem CID 3515111) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
PubChem CID3515111
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1
InChIInChI=1S/C18H19N3OS/c1-3-12(4-2)16(22)20-14-8-5-7-13(11-14)17-21-15-9-6-10-19-18(15)23-17/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyOSLSOKIKXASWMF-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide (CID 3515111) is 2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide is CCC(CC)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1.
What is the InChIKey of 2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
The InChIKey is OSLSOKIKXASWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-12(4-2)16(22)20-14-8-5-7-13(11-14)17-21-15-9-6-10-19-18(15)23-17/h5-12H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide has a molecular weight of 325.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide is sourced from PubChem (CID 3515111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).