N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

C19H19N3O2S — CID 24791387

IUPACN-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C19H19N3O2S/c1-13-4-2-3-5-15(13)20-18(23)14-6-7-16-17(12-14)25-19(21-16)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyJOLFUFUHRACORN-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.69
Rot. Bonds3

About N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 24791387) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID24791387
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C19H19N3O2S/c1-13-4-2-3-5-15(13)20-18(23)14-6-7-16-17(12-14)25-19(21-16)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyJOLFUFUHRACORN-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide 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-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (CID 24791387) is N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is Cc1ccccc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is JOLFUFUHRACORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-4-2-3-5-15(13)20-18(23)14-6-7-16-17(12-14)25-19(21-16)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,23).
What are the key properties of N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 24791387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).