N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide

C23H21N3O2S — CID 121024749

IUPACN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H21N3O2S/c1-14(2)28-18-10-8-16(9-11-18)21(27)25-20-13-17(7-6-15(20)3)22-26-19-5-4-12-24-23(19)29-22/h4-14H,1-3H3,(H,25,27)
InChIKeyRXVHTBSUETUIJY-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.71
Rot. Bonds5

About N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide

N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide (PubChem CID 121024749) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide
PubChem CID121024749
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H21N3O2S/c1-14(2)28-18-10-8-16(9-11-18)21(27)25-20-13-17(7-6-15(20)3)22-26-19-5-4-12-24-23(19)29-22/h4-14H,1-3H3,(H,25,27)
InChIKeyRXVHTBSUETUIJY-UHFFFAOYSA-N
XLogP5.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide 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-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024696
3,5-dichloro-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024743
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024811
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121024802
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141366
3,5-dimethoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141342
2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 3292217
(E)-3-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024683
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 121024497
1-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxopyridine-3-carboxamide
CID 121024820
6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 7087663
2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024714

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide (CID 121024749) is N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide is Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is RXVHTBSUETUIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-14(2)28-18-10-8-16(9-11-18)21(27)25-20-13-17(7-6-15(20)3)22-26-19-5-4-12-24-23(19)29-22/h4-14H,1-3H3,(H,25,27).
What are the key properties of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide?
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 403.51 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 121024749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).