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

C23H21N3O2S — CID 5167171

IUPAC4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1
InChIInChI=1S/C23H21N3O2S/c1-2-3-14-28-19-11-9-16(10-12-19)21(27)25-18-7-4-6-17(15-18)22-26-20-8-5-13-24-23(20)29-22/h4-13,15H,2-3,14H2,1H3,(H,25,27)
InChIKeyDRGAJFONUHFVHL-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.79
Rot. Bonds7

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

4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 5167171) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID5167171
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1
InChIInChI=1S/C23H21N3O2S/c1-2-3-14-28-19-11-9-16(10-12-19)21(27)25-18-7-4-6-17(15-18)22-26-20-8-5-13-24-23(20)29-22/h4-13,15H,2-3,14H2,1H3,(H,25,27)
InChIKeyDRGAJFONUHFVHL-UHFFFAOYSA-N
XLogP5.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 5167171) is 4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1.
What is the InChIKey of 4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is DRGAJFONUHFVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-2-3-14-28-19-11-9-16(10-12-19)21(27)25-18-7-4-6-17(15-18)22-26-20-8-5-13-24-23(20)29-22/h4-13,15H,2-3,14H2,1H3,(H,25,27).
What are the key properties of 4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 403.51 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 5167171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).