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

C20H21N3O2S — CID 24793574

IUPACN-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)c1C
InChIInChI=1S/C20H21N3O2S/c1-13-4-3-5-16(14(13)2)21-19(24)15-6-7-17-18(12-15)26-20(22-17)23-8-10-25-11-9-23/h3-7,12H,8-11H2,1-2H3,(H,21,24)
InChIKeyNDFPUXFWNPENFU-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.00
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 24793574) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID24793574
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)c1C
InChIInChI=1S/C20H21N3O2S/c1-13-4-3-5-16(14(13)2)21-19(24)15-6-7-17-18(12-15)26-20(22-17)23-8-10-25-11-9-23/h3-7,12H,8-11H2,1-2H3,(H,21,24)
InChIKeyNDFPUXFWNPENFU-UHFFFAOYSA-N
XLogP4.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (CID 24793574) is N-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is Cc1cccc(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is NDFPUXFWNPENFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-4-3-5-16(14(13)2)21-19(24)15-6-7-17-18(12-15)26-20(22-17)23-8-10-25-11-9-23/h3-7,12H,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
N-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 24793574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).