N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide

C17H19BrN4O3S2 — CID 126715052

IUPACN-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide
SMILESCN1C(NC(=O)c2ccccc2)=NC(C)(c2nc(Br)cs2)C(C)(C)S1(=O)=O
InChIInChI=1S/C17H19BrN4O3S2/c1-16(2)17(3,14-19-12(18)10-26-14)21-15(22(4)27(16,24)25)20-13(23)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,20,21,23)
InChIKeyFXXYBBDSAUCSBY-UHFFFAOYSA-N
MW471.40 g/mol
LogP2.96
Rot. Bonds2

About N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide

N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide (PubChem CID 126715052) has the molecular formula C17H19BrN4O3S2 and a molecular weight of 471.40 g/mol. Its IUPAC name is N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide
PubChem CID126715052
Molecular FormulaC17H19BrN4O3S2
Molecular Weight471.40 g/mol
Exact Mass470.01
IUPAC NameN-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide
SMILESCN1C(NC(=O)c2ccccc2)=NC(C)(c2nc(Br)cs2)C(C)(C)S1(=O)=O
InChIInChI=1S/C17H19BrN4O3S2/c1-16(2)17(3,14-19-12(18)10-26-14)21-15(22(4)27(16,24)25)20-13(23)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,20,21,23)
InChIKeyFXXYBBDSAUCSBY-UHFFFAOYSA-N
XLogP2.96
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-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-[8a-(4-bromo-1,3-thiazol-2-yl)-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 126715754
N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 118435542
N-[2-[(5R)-3-amino-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 126714993
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
N-[[(3R,4R,6S)-3-(4-bromo-1,3-thiazol-2-yl)-4-(hydroxymethyl)-6-methyloxan-3-yl]carbamothioyl]benzamide
CID 118435603
N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide
CID 12623303
2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16914994
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
N-(4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide
CID 23912881

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide?
The IUPAC name of N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide (CID 126715052) is N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide.
What is the SMILES notation for N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide?
The canonical SMILES for N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide is CN1C(NC(=O)c2ccccc2)=NC(C)(c2nc(Br)cs2)C(C)(C)S1(=O)=O.
What is the InChIKey of N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide?
The InChIKey is FXXYBBDSAUCSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O3S2/c1-16(2)17(3,14-19-12(18)10-26-14)21-15(22(4)27(16,24)25)20-13(23)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,20,21,23).
What are the key properties of N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide?
N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide has a molecular weight of 471.40 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromo-1,3-thiazol-2-yl)-2,5,6,6-tetramethyl-1,1-dioxo-1,2,4-thiadiazin-3-yl]benzamide is sourced from PubChem (CID 126715052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).