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

C24H21N3O2S — CID 121024420

IUPAC4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H21N3O2S/c28-23(24(12-15-29-16-13-24)18-5-2-1-3-6-18)26-19-10-8-17(9-11-19)21-27-20-7-4-14-25-22(20)30-21/h1-11,14H,12-13,15-16H2,(H,26,28)
InChIKeyKMGFENCNHFSEPH-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.05
Rot. Bonds4

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

4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide (PubChem CID 121024420) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide
PubChem CID121024420
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H21N3O2S/c28-23(24(12-15-29-16-13-24)18-5-2-1-3-6-18)26-19-10-8-17(9-11-19)21-27-20-7-4-14-25-22(20)30-21/h1-11,14H,12-13,15-16H2,(H,26,28)
InChIKeyKMGFENCNHFSEPH-UHFFFAOYSA-N
XLogP5.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

2-phenoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 3397110
N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122301497
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121024374
2-pyridin-3-yloxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024419
2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 7141315
4-[4-(2-methylpyrimidin-5-yl)phenyl]-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 67987918
N-[6-(4-methylphenoxy)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 55787731
2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141317
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
(E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024334
4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
CID 60582036
4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
CID 121024336

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide (CID 121024420) is 4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide is O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide?
The InChIKey is KMGFENCNHFSEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-23(24(12-15-29-16-13-24)18-5-2-1-3-6-18)26-19-10-8-17(9-11-19)21-27-20-7-4-14-25-22(20)30-21/h1-11,14H,12-13,15-16H2,(H,26,28).
What are the key properties of 4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide?
4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 121024420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).