N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

C21H19N3O3S2 — CID 46512551

IUPACN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)cs1
InChIInChI=1S/C21H19N3O3S2/c1-12-20(25)24-17-9-14(7-8-18(17)27-12)23-21(26)16-5-3-4-6-19(16)29-11-15-10-28-13(2)22-15/h3-10,12H,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMPGRHMNFNUJGQC-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.72
Rot. Bonds5

About N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (PubChem CID 46512551) has the molecular formula C21H19N3O3S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
PubChem CID46512551
Molecular FormulaC21H19N3O3S2
Molecular Weight425.54 g/mol
Exact Mass425.09
IUPAC NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)cs1
InChIInChI=1S/C21H19N3O3S2/c1-12-20(25)24-17-9-14(7-8-18(17)27-12)23-21(26)16-5-3-4-6-19(16)29-11-15-10-28-13(2)22-15/h3-10,12H,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMPGRHMNFNUJGQC-UHFFFAOYSA-N
XLogP4.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]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-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 42030584
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-1-carboxamide
CID 41096038
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
N-(4-methyl-3-sulfamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46519402
2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17413196
2-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40810154
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 26002576
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 55504077
N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 47140365
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55798569
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-propoxybenzamide
CID 35574928
N-[1-(3-acetamidophenyl)ethyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55581134

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (CID 46512551) is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is Cc1nc(CSc2ccccc2C(=O)Nc2ccc3c(c2)NC(=O)C(C)O3)cs1.
What is the InChIKey of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The InChIKey is MPGRHMNFNUJGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S2/c1-12-20(25)24-17-9-14(7-8-18(17)27-12)23-21(26)16-5-3-4-6-19(16)29-11-15-10-28-13(2)22-15/h3-10,12H,11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide has a molecular weight of 425.54 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 46512551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).