3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide

C21H20FN3O3S2 — CID 55895680

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)sc1Cc1ccccc1F
InChIInChI=1S/C21H20FN3O3S2/c1-14-19(13-15-6-2-3-9-18(15)22)29-21(23-14)24-20(26)16-7-4-8-17(12-16)25-10-5-11-30(25,27)28/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,23,24,26)
InChIKeyAXERURLVYRBMPT-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.97
Rot. Bonds5

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 55895680) has the molecular formula C21H20FN3O3S2 and a molecular weight of 445.54 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID55895680
Molecular FormulaC21H20FN3O3S2
Molecular Weight445.54 g/mol
Exact Mass445.09
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)sc1Cc1ccccc1F
InChIInChI=1S/C21H20FN3O3S2/c1-14-19(13-15-6-2-3-9-18(15)22)29-21(23-14)24-20(26)16-7-4-8-17(12-16)25-10-5-11-30(25,27)28/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,23,24,26)
InChIKeyAXERURLVYRBMPT-UHFFFAOYSA-N
XLogP3.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18137763
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 60531752
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
3-bromo-N-[2-[[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 55958712
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18229524
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 60581734
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
ethyl 3-[[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate
CID 52699326

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide (CID 55895680) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)sc1Cc1ccccc1F.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is AXERURLVYRBMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S2/c1-14-19(13-15-6-2-3-9-18(15)22)29-21(23-14)24-20(26)16-7-4-8-17(12-16)25-10-5-11-30(25,27)28/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,23,24,26).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55895680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).