N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

C17H16N4O3S — CID 90511577

IUPACN-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)Nc3ccc4sc(C)nc4c3)C2)no1
InChIInChI=1S/C17H16N4O3S/c1-9-5-14(20-24-9)17(23)21-7-11(8-21)16(22)19-12-3-4-15-13(6-12)18-10(2)25-15/h3-6,11H,7-8H2,1-2H3,(H,19,22)
InChIKeyNSXOUSMFCXLEHG-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.61
Rot. Bonds3

About N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511577) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
PubChem CID90511577
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)Nc3ccc4sc(C)nc4c3)C2)no1
InChIInChI=1S/C17H16N4O3S/c1-9-5-14(20-24-9)17(23)21-7-11(8-21)16(22)19-12-3-4-15-13(6-12)18-10(2)25-15/h3-6,11H,7-8H2,1-2H3,(H,19,22)
InChIKeyNSXOUSMFCXLEHG-UHFFFAOYSA-N
XLogP2.61
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide 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-methoxyphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511441
N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511610
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-propan-2-ylphenyl)azetidine-3-carboxamide
CID 90511421
N-(4-anilinophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511611
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511491
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511602
N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511531
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 71785278
5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525640
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide
CID 90511291
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
CID 121018217
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511383

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (CID 90511577) is N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)Nc3ccc4sc(C)nc4c3)C2)no1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is NSXOUSMFCXLEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-9-5-14(20-24-9)17(23)21-7-11(8-21)16(22)19-12-3-4-15-13(6-12)18-10(2)25-15/h3-6,11H,7-8H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).