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

C17H14FN3O2S — CID 121128464

IUPAC1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C17H14FN3O2S/c18-11-1-6-14-15(7-11)24-17(20-14)21-8-10(9-21)16(23)19-12-2-4-13(22)5-3-12/h1-7,10,22H,8-9H2,(H,19,23)
InChIKeyNLDMLJNMORTUKB-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.22
Rot. Bonds3

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

1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide (PubChem CID 121128464) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
PubChem CID121128464
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C17H14FN3O2S/c18-11-1-6-14-15(7-11)24-17(20-14)21-8-10(9-21)16(23)19-12-2-4-13(22)5-3-12/h1-7,10,22H,8-9H2,(H,19,23)
InChIKeyNLDMLJNMORTUKB-UHFFFAOYSA-N
XLogP3.22
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128456
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 121128467
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide
CID 121128463
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128498
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 121128596
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610246
N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604030
methyl 4-[[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90609797
1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90604056
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 90609789

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide (CID 121128464) is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide is O=C(Nc1ccc(O)cc1)C1CN(c2nc3ccc(F)cc3s2)C1.
What is the InChIKey of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide?
The InChIKey is NLDMLJNMORTUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-11-1-6-14-15(7-11)24-17(20-14)21-8-10(9-21)16(23)19-12-2-4-13(22)5-3-12/h1-7,10,22H,8-9H2,(H,19,23).
What are the key properties of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide?
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 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-hydroxyphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 121128464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).