1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide

C16H16FN3O3S — CID 90512648

IUPAC1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CN(C(=O)COc3ccccc3F)C2)sn1
InChIInChI=1S/C16H16FN3O3S/c1-10-6-14(24-19-10)18-16(22)11-7-20(8-11)15(21)9-23-13-5-3-2-4-12(13)17/h2-6,11H,7-9H2,1H3,(H,18,22)
InChIKeySKFPPSYCFALYJG-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide

1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide (PubChem CID 90512648) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide
PubChem CID90512648
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CN(C(=O)COc3ccccc3F)C2)sn1
InChIInChI=1S/C16H16FN3O3S/c1-10-6-14(24-19-10)18-16(22)11-7-20(8-11)15(21)9-23-13-5-3-2-4-12(13)17/h2-6,11H,7-9H2,1H3,(H,18,22)
InChIKeySKFPPSYCFALYJG-UHFFFAOYSA-N
XLogP2.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-acetamidophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512660
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-2-pyridinyl)azetidine-3-carboxamide
CID 71785363
N-(2-chloro-4-pyridinyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512654
N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512571
N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512527
1-[2-(2-fluorophenoxy)acetyl]-N-naphthalen-1-ylazetidine-3-carboxamide
CID 90512523
1-[2-(2-fluorophenoxy)acetyl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90512452
1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 90512446
N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 71785377
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide (CID 90512648) is 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide is Cc1cc(NC(=O)C2CN(C(=O)COc3ccccc3F)C2)sn1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide?
The InChIKey is SKFPPSYCFALYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-10-6-14(24-19-10)18-16(22)11-7-20(8-11)15(21)9-23-13-5-3-2-4-12(13)17/h2-6,11H,7-9H2,1H3,(H,18,22).
What are the key properties of 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide?
1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)acetyl]-N-(3-methyl-1,2-thiazol-5-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90512648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).