1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide

C19H19N3O2S — CID 121128707

IUPAC1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide
SMILESCOc1ccc2sc(N3CC(C(=O)Nc4ccccc4C)C3)nc2c1
InChIInChI=1S/C19H19N3O2S/c1-12-5-3-4-6-15(12)20-18(23)13-10-22(11-13)19-21-16-9-14(24-2)7-8-17(16)25-19/h3-9,13H,10-11H2,1-2H3,(H,20,23)
InChIKeyIDPYNCQJKRAPAB-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.69
Rot. Bonds4

About 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide

1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide (PubChem CID 121128707) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide
PubChem CID121128707
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide
SMILESCOc1ccc2sc(N3CC(C(=O)Nc4ccccc4C)C3)nc2c1
InChIInChI=1S/C19H19N3O2S/c1-12-5-3-4-6-15(12)20-18(23)13-10-22(11-13)19-21-16-9-14(24-2)7-8-17(16)25-19/h3-9,13H,10-11H2,1-2H3,(H,20,23)
InChIKeyIDPYNCQJKRAPAB-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128766
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 121128871
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 121128800
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 121128799
N-(4-bromo-3-methylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128788
N-(2,5-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604262
N-(2,6-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604264
N-(4-chlorophenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128719
N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128713
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 121128686
N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604351
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide (CID 121128707) is 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide is COc1ccc2sc(N3CC(C(=O)Nc4ccccc4C)C3)nc2c1.
What is the InChIKey of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide?
The InChIKey is IDPYNCQJKRAPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-5-3-4-6-15(12)20-18(23)13-10-22(11-13)19-21-16-9-14(24-2)7-8-17(16)25-19/h3-9,13H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide?
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 121128707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).