N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide

C14H12N4O3S2 — CID 4901878

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
SMILESO=C(CC1SC(=O)NC1=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C14H12N4O3S2/c19-11(6-10-12(20)17-14(21)23-10)16-7-1-2-9-8(5-7)18-4-3-15-13(18)22-9/h1-2,5,10H,3-4,6H2,(H,16,19)(H,17,20,21)
InChIKeyUDTHUWBJDNEBPB-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.65
Rot. Bonds3

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 4901878) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID4901878
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
SMILESO=C(CC1SC(=O)NC1=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C14H12N4O3S2/c19-11(6-10-12(20)17-14(21)23-10)16-7-1-2-9-8(5-7)18-4-3-15-13(18)22-9/h1-2,5,10H,3-4,6H2,(H,16,19)(H,17,20,21)
InChIKeyUDTHUWBJDNEBPB-UHFFFAOYSA-N
XLogP1.65
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide (CID 4901878) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide is O=C(CC1SC(=O)NC1=O)Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is UDTHUWBJDNEBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c19-11(6-10-12(20)17-14(21)23-10)16-7-1-2-9-8(5-7)18-4-3-15-13(18)22-9/h1-2,5,10H,3-4,6H2,(H,16,19)(H,17,20,21).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 348.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 4901878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).