3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide

C20H18N2O3S — CID 166374307

IUPAC3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide
SMILESCc1sc(NC(=O)C2(C)COc3ccccc3O2)nc1-c1ccccc1
InChIInChI=1S/C20H18N2O3S/c1-13-17(14-8-4-3-5-9-14)21-19(26-13)22-18(23)20(2)12-24-15-10-6-7-11-16(15)25-20/h3-11H,12H2,1-2H3,(H,21,22,23)
InChIKeyNYLYSXXQUXNGAL-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.29
Rot. Bonds3

About 3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide

3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide (PubChem CID 166374307) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide
PubChem CID166374307
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide
SMILESCc1sc(NC(=O)C2(C)COc3ccccc3O2)nc1-c1ccccc1
InChIInChI=1S/C20H18N2O3S/c1-13-17(14-8-4-3-5-9-14)21-19(26-13)22-18(23)20(2)12-24-15-10-6-7-11-16(15)25-20/h3-11H,12H2,1-2H3,(H,21,22,23)
InChIKeyNYLYSXXQUXNGAL-UHFFFAOYSA-N
XLogP4.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-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

1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 58609876
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
trans-(1S,2S)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753063
2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 3649410
2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19173139
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid
CID 17373740
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
(1S,2S,3S,4R)-3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 7406029

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide?
The IUPAC name of 3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide (CID 166374307) is 3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide is Cc1sc(NC(=O)C2(C)COc3ccccc3O2)nc1-c1ccccc1.
What is the InChIKey of 3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide?
The InChIKey is NYLYSXXQUXNGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13-17(14-8-4-3-5-9-14)21-19(26-13)22-18(23)20(2)12-24-15-10-6-7-11-16(15)25-20/h3-11H,12H2,1-2H3,(H,21,22,23).
What are the key properties of 3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide?
3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2H-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 166374307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).