2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide

C18H17FN2O2S — CID 139069972

IUPAC2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1nc2ccccc2s1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S/c1-12(2)21(14-9-7-13(19)8-10-14)17(22)11-23-18-20-15-5-3-4-6-16(15)24-18/h3-10,12H,11H2,1-2H3
InChIKeyBURQRWQAENIUBZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.26
Rot. Bonds5

About 2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide

2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide (PubChem CID 139069972) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide
PubChem CID139069972
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1nc2ccccc2s1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S/c1-12(2)21(14-9-7-13(19)8-10-14)17(22)11-23-18-20-15-5-3-4-6-16(15)24-18/h3-10,12H,11H2,1-2H3
InChIKeyBURQRWQAENIUBZ-UHFFFAOYSA-N
XLogP4.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide
CID 13101352
sodium;N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide;hydride
CID 173247368
1-(1,3-benzothiazol-2-yloxy)-3-hydroxybutan-2-one
CID 70512470
[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate
CID 10220637
2-(1,3-benzothiazol-2-yloxy)-N-nitro-N-phenylacetamide
CID 141365851
N-(4-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxy-N-propan-2-ylacetamide
CID 169440701
N-(4-fluorophenyl)-N-propan-2-ylpropanamide
CID 18339665
N-(4-fluorophenyl)-N-(1-methylsulfonylethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
CID 70138533
2-(1,3-benzothiazol-2-yloxy)acetic acid;N-methylaniline
CID 70566955
N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide
CID 14555397
4-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylbutanamide
CID 163940335
2-[[5-chloro-1-(difluoromethyl)-1,3,4-thiadiazol-1-ium-2-yl]oxy]-N-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 162568255

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide (CID 139069972) is 2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide is CC(C)N(C(=O)COc1nc2ccccc2s1)c1ccc(F)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide?
The InChIKey is BURQRWQAENIUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-12(2)21(14-9-7-13(19)8-10-14)17(22)11-23-18-20-15-5-3-4-6-16(15)24-18/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide?
2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide has a molecular weight of 344.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 139069972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).