N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide

C25H20N4O4S — CID 46290901

IUPACN-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESCC(C(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1)N1C(=O)COc2ccccc21
InChIInChI=1S/C25H20N4O4S/c1-15(29-19-9-5-6-10-20(19)33-14-22(29)30)23(31)26-17-11-12-18-21(13-17)34-25(27-18)28-24(32)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,26,31)(H,27,28,32)
InChIKeyMOXNGXBBMMECSQ-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.30
Rot. Bonds5

About N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide

N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46290901) has the molecular formula C25H20N4O4S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide
PubChem CID46290901
Molecular FormulaC25H20N4O4S
Molecular Weight472.53 g/mol
Exact Mass472.12
IUPAC NameN-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESCC(C(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1)N1C(=O)COc2ccccc21
InChIInChI=1S/C25H20N4O4S/c1-15(29-19-9-5-6-10-20(19)33-14-22(29)30)23(31)26-17-11-12-18-21(13-17)34-25(27-18)28-24(32)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,26,31)(H,27,28,32)
InChIKeyMOXNGXBBMMECSQ-UHFFFAOYSA-N
XLogP4.30
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-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

N-[6-[[(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)butanoyl]amino]-1,3-benzothiazol-2-yl]benzamide
CID 92746210
N-[6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide
CID 46290872
(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[(2S)-2-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]propanehydrazide
CID 40963421
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 23409730
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 23409757
N-(2-benzamido-1,3-benzothiazol-6-yl)-4-cyanobenzamide
CID 46290848
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 8750662
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17448144
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide (CID 46290901) is N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide is CC(C(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1)N1C(=O)COc2ccccc21.
What is the InChIKey of N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is MOXNGXBBMMECSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4S/c1-15(29-19-9-5-6-10-20(19)33-14-22(29)30)23(31)26-17-11-12-18-21(13-17)34-25(27-18)28-24(32)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,26,31)(H,27,28,32).
What are the key properties of N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide?
N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 472.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46290901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).