N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide

C21H22N2O2S — CID 25169504

IUPACN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1
InChIInChI=1S/C21H22N2O2S/c1-14-4-6-16(7-5-14)17-10-18(20(24)23-15(2)13-25-3)12-19(11-17)21-22-8-9-26-21/h4-12,15H,13H2,1-3H3,(H,23,24)
InChIKeyIQVXTALUQDHYGP-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.55
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide

N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 25169504) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
PubChem CID25169504
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1
InChIInChI=1S/C21H22N2O2S/c1-14-4-6-16(7-5-14)17-10-18(20(24)23-15(2)13-25-3)12-19(11-17)21-22-8-9-26-21/h4-12,15H,13H2,1-3H3,(H,23,24)
InChIKeyIQVXTALUQDHYGP-UHFFFAOYSA-N
XLogP4.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)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 N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (CID 25169504) is N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is IQVXTALUQDHYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14-4-6-16(7-5-14)17-10-18(20(24)23-15(2)13-25-3)12-19(11-17)21-22-8-9-26-21/h4-12,15H,13H2,1-3H3,(H,23,24).
What are the key properties of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 366.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 25169504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).