N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide

C23H20N4O2S — CID 46385355

IUPACN-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESCc1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1C
InChIInChI=1S/C23H20N4O2S/c1-14-7-6-10-18(15(14)2)25-22(29)24-17-11-12-20-19(13-17)26-23(30-20)27-21(28)16-8-4-3-5-9-16/h3-13H,1-2H3,(H2,24,25,29)(H,26,27,28)
InChIKeyQRDZNWVXOXCOJX-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.81
Rot. Bonds4

About N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide

N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46385355) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
PubChem CID46385355
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESCc1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1C
InChIInChI=1S/C23H20N4O2S/c1-14-7-6-10-18(15(14)2)25-22(29)24-17-11-12-20-19(13-17)26-23(30-20)27-21(28)16-8-4-3-5-9-16/h3-13H,1-2H3,(H2,24,25,29)(H,26,27,28)
InChIKeyQRDZNWVXOXCOJX-UHFFFAOYSA-N
XLogP5.81
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-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

Related Compounds

2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide
CID 46328829
N-[5-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385418
ethyl 3-[(2-benzamido-1,3-benzothiazol-5-yl)carbamoylamino]propanoate
CID 46385400
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide
CID 50882100
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
CID 46328641
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379293
N-[6-[(3,4,5-trimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325858
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
CID 46328625
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]benzamide
CID 95733400
1-(1,2,3-benzothiadiazol-5-yl)-3-(2-methylphenyl)urea
CID 46261971
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-[5-(butanoylamino)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46328837

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide (CID 46385355) is N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide is Cc1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1C.
What is the InChIKey of N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is QRDZNWVXOXCOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-14-7-6-10-18(15(14)2)25-22(29)24-17-11-12-20-19(13-17)26-23(30-20)27-21(28)16-8-4-3-5-9-16/h3-13H,1-2H3,(H2,24,25,29)(H,26,27,28).
What are the key properties of N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide?
N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 416.51 g/mol, XLogP of 5.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46385355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).