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

C16H16N4O3S — CID 121128799

IUPAC1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
SMILESCOc1ccc2sc(N3CC(C(=O)Nc4cc(C)on4)C3)nc2c1
InChIInChI=1S/C16H16N4O3S/c1-9-5-14(19-23-9)18-15(21)10-7-20(8-10)16-17-12-6-11(22-2)3-4-13(12)24-16/h3-6,10H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyXHQFOLGJWBBNSF-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.68
Rot. Bonds4

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

1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide (PubChem CID 121128799) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
PubChem CID121128799
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
SMILESCOc1ccc2sc(N3CC(C(=O)Nc4cc(C)on4)C3)nc2c1
InChIInChI=1S/C16H16N4O3S/c1-9-5-14(19-23-9)18-15(21)10-7-20(8-10)16-17-12-6-11(22-2)3-4-13(12)24-16/h3-6,10H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyXHQFOLGJWBBNSF-UHFFFAOYSA-N
XLogP2.68
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide with MolForge

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Related Compounds

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-(2-methylphenyl)azetidine-3-carboxamide
CID 121128707
N-(2,4-dimethylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128766
N-(4-chlorophenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128719
N-(4-bromo-3-methylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128788
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 121128686
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128752
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide
CID 121128670
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)azetidine-3-carboxamide
CID 121128671
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128797
N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128713

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide (CID 121128799) is 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide is COc1ccc2sc(N3CC(C(=O)Nc4cc(C)on4)C3)nc2c1.
What is the InChIKey of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide?
The InChIKey is XHQFOLGJWBBNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-9-5-14(19-23-9)18-15(21)10-7-20(8-10)16-17-12-6-11(22-2)3-4-13(12)24-16/h3-6,10H,7-8H2,1-2H3,(H,18,19,21).
What are the key properties of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide?
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).