1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide

C18H16FN3O2S — CID 121128467

IUPAC1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CN(c3nc4ccc(F)cc4s3)C2)cc1
InChIInChI=1S/C18H16FN3O2S/c1-24-14-5-3-13(4-6-14)20-17(23)11-9-22(10-11)18-21-15-7-2-12(19)8-16(15)25-18/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyVRNZGEJSZPJFSQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.52
Rot. Bonds4

About 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide

1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide (PubChem CID 121128467) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
PubChem CID121128467
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CN(c3nc4ccc(F)cc4s3)C2)cc1
InChIInChI=1S/C18H16FN3O2S/c1-24-14-5-3-13(4-6-14)20-17(23)11-9-22(10-11)18-21-15-7-2-12(19)8-16(15)25-18/h2-8,11H,9-10H2,1H3,(H,20,23)
InChIKeyVRNZGEJSZPJFSQ-UHFFFAOYSA-N
XLogP3.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
CID 121128464
N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128456
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128498
N-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604241
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide
CID 121128463
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604270
N-(4-chlorophenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128719
methyl 4-[[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90609797
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 90609789
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 121128596
N-(2,6-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604264

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide (CID 121128467) is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide is COc1ccc(NC(=O)C2CN(c3nc4ccc(F)cc4s3)C2)cc1.
What is the InChIKey of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide?
The InChIKey is VRNZGEJSZPJFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-24-14-5-3-13(4-6-14)20-17(23)11-9-22(10-11)18-21-15-7-2-12(19)8-16(15)25-18/h2-8,11H,9-10H2,1H3,(H,20,23).
What are the key properties of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide?
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 121128467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).