2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C18H12FN3O2S2 — CID 5304236

IUPAC2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1sc2cc(F)ccc2c1=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H12FN3O2S2/c19-12-6-7-13-15(8-12)26-22(17(13)24)9-16(23)21-18-20-14(10-25-18)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,20,21,23)
InChIKeyHJSCNWYIFIYRIC-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.96
Rot. Bonds4

About 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 5304236) has the molecular formula C18H12FN3O2S2 and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID5304236
Molecular FormulaC18H12FN3O2S2
Molecular Weight385.45 g/mol
Exact Mass385.04
IUPAC Name2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1sc2cc(F)ccc2c1=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H12FN3O2S2/c19-12-6-7-13-15(8-12)26-22(17(13)24)9-16(23)21-18-20-14(10-25-18)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,20,21,23)
InChIKeyHJSCNWYIFIYRIC-UHFFFAOYSA-N
XLogP3.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]ethyl]piperazine-1-carboxamide
CID 137642813
2-(2-methyl-1,3-dioxoisoindolin-4-yl)-N-(4-(3-(trifluoromethyl)phenyl)thiazol-2-yl)acetamide
CID 44241798
N-(4-(3,5-difluoro-4-(trifluoromethyl)phenyl)thiazol-2-yl)-2-(2-methyl-1,3-dioxoisoindolin-4-yl)acetamide
CID 44241932
(S)-2-(2-phenylacetamido)-N-(4-phenylthiazol-2-yl)-6-(sulfamoylamino)hexanamide
CID 44572516
(S)-2-(3-(4-fluorobenzyl)ureido)-N-(4-phenylthiazol-2-yl)-6-(sulfamoylamino)hexanamide
CID 44572518
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 978790
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 1312649
N-{4-[1-(2-Fluoro-benzoyl)-2,3-dihydro-1H-indol-5-yl]-thiazol-2-yl}-2-pyrrolidin-1-yl-acetamide
CID 1383832
N-{4-[1-(4-Fluoro-benzoyl)-2,3-dihydro-1H-indol-5-yl]-5-methyl-thiazol-2-yl}-2-pyrrolidin-1-yl-acetamide
CID 1383834
N-{4-[1-(3-Methyl-benzoyl)-2,3-dihydro-1H-indol-5-yl]-thiazol-2-yl}-2-pyrrolidin-1-yl-acetamide
CID 1450534
2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)thiazol-2-yl]acetamide
CID 2095288
ethyl 2-(2-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamido)thiazol-4-yl)acetate
CID 2972885

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 5304236) is 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(Cn1sc2cc(F)ccc2c1=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HJSCNWYIFIYRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S2/c19-12-6-7-13-15(8-12)26-22(17(13)24)9-16(23)21-18-20-14(10-25-18)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,20,21,23).
What are the key properties of 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5304236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).