N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide

C17H14N2O2S — CID 2092675

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
SMILESCc1csc(NC(=O)c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H14N2O2S/c1-12-11-22-17(18-12)19-16(20)13-6-5-9-15(10-13)21-14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,20)
InChIKeyKZKCURLGSBGETL-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.50
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide

N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide (PubChem CID 2092675) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
PubChem CID2092675
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
SMILESCc1csc(NC(=O)c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H14N2O2S/c1-12-11-22-17(18-12)19-16(20)13-6-5-9-15(10-13)21-14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,20)
InChIKeyKZKCURLGSBGETL-UHFFFAOYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide 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-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide (CID 2092675) is N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide is Cc1csc(NC(=O)c2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide?
The InChIKey is KZKCURLGSBGETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-12-11-22-17(18-12)19-16(20)13-6-5-9-15(10-13)21-14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,20).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide has a molecular weight of 310.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide is sourced from PubChem (CID 2092675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).