1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide

C19H16F3N3O3S — CID 121128871

IUPAC1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
SMILESCOc1ccc2sc(N3CC(C(=O)Nc4ccccc4OC(F)(F)F)C3)nc2c1
InChIInChI=1S/C19H16F3N3O3S/c1-27-12-6-7-16-14(8-12)24-18(29-16)25-9-11(10-25)17(26)23-13-4-2-3-5-15(13)28-19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,26)
InChIKeyJZSZGXLABZQHIO-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.28
Rot. Bonds5

About 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide

1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide (PubChem CID 121128871) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
PubChem CID121128871
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC Name1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
SMILESCOc1ccc2sc(N3CC(C(=O)Nc4ccccc4OC(F)(F)F)C3)nc2c1
InChIInChI=1S/C19H16F3N3O3S/c1-27-12-6-7-16-14(8-12)24-18(29-16)25-9-11(10-25)17(26)23-13-4-2-3-5-15(13)28-19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,26)
InChIKeyJZSZGXLABZQHIO-UHFFFAOYSA-N
XLogP4.28
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 121128800
N-(4-chlorophenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128719
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 121128799
1-(1,3-benzothiazol-2-yl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90604085
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128797
N-(4-bromo-3-methylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128788
N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604351
N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128838
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-(3-methylbutyl)azetidine-3-carboxamide
CID 121128671

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
The IUPAC name of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide (CID 121128871) is 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide is COc1ccc2sc(N3CC(C(=O)Nc4ccccc4OC(F)(F)F)C3)nc2c1.
What is the InChIKey of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
The InChIKey is JZSZGXLABZQHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c1-27-12-6-7-16-14(8-12)24-18(29-16)25-9-11(10-25)17(26)23-13-4-2-3-5-15(13)28-19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,26).
What are the key properties of 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 121128871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).