N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

C19H16FN3O3S — CID 90512571

IUPACN-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C19H16FN3O3S/c20-13-5-1-3-7-15(13)26-11-17(24)23-9-12(10-23)18(25)22-19-21-14-6-2-4-8-16(14)27-19/h1-8,12H,9-11H2,(H,21,22,25)
InChIKeyWYIGFPPHRAQUJB-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.91
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (PubChem CID 90512571) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
PubChem CID90512571
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C19H16FN3O3S/c20-13-5-1-3-7-15(13)26-11-17(24)23-9-12(10-23)18(25)22-19-21-14-6-2-4-8-16(14)27-19/h1-8,12H,9-11H2,(H,21,22,25)
InChIKeyWYIGFPPHRAQUJB-UHFFFAOYSA-N
XLogP2.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide
CID 90512523
N-(4-acetamidophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512660
ethyl (4S)-2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 95377054
ethyl 2-[[1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 71785371
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide
CID 90512648
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide
CID 71785363
1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90512452
1-[2-(2-fluorophenoxy)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 90512577
N-(3,4-dimethylphenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512537
N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512527
N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 71785377
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide (CID 90512571) is N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is O=C(Nc1nc2ccccc2s1)C1CN(C(=O)COc2ccccc2F)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
The InChIKey is WYIGFPPHRAQUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c20-13-5-1-3-7-15(13)26-11-17(24)23-9-12(10-23)18(25)22-19-21-14-6-2-4-8-16(14)27-19/h1-8,12H,9-11H2,(H,21,22,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide is sourced from PubChem (CID 90512571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).