3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

C19H19N3O4S2 — CID 24592574

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)sc2c1
InChIInChI=1S/C19H19N3O4S2/c1-2-26-15-7-8-16-17(12-15)27-19(20-16)21-18(23)13-5-3-6-14(11-13)22-9-4-10-28(22,24)25/h3,5-8,11-12H,2,4,9-10H2,1H3,(H,20,21,23)
InChIKeyYQRDKDUUPHJWNP-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.49
Rot. Bonds5

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 24592574) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID24592574
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)sc2c1
InChIInChI=1S/C19H19N3O4S2/c1-2-26-15-7-8-16-17(12-15)27-19(20-16)21-18(23)13-5-3-6-14(11-13)22-9-4-10-28(22,24)25/h3,5-8,11-12H,2,4,9-10H2,1H3,(H,20,21,23)
InChIKeyYQRDKDUUPHJWNP-UHFFFAOYSA-N
XLogP3.49
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 8883299
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18137763
3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3134466
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 24594691
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 26251750
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide
CID 121080183
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 24592574) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)sc2c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is YQRDKDUUPHJWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-2-26-15-7-8-16-17(12-15)27-19(20-16)21-18(23)13-5-3-6-14(11-13)22-9-4-10-28(22,24)25/h3,5-8,11-12H,2,4,9-10H2,1H3,(H,20,21,23).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 24592574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).