N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C17H16N4O3S — CID 119099836

IUPACN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccccc1-c1cn2c(n1)SCC2
InChIInChI=1S/C17H16N4O3S/c22-14(10-21-15(23)5-6-16(21)24)18-12-4-2-1-3-11(12)13-9-20-7-8-25-17(20)19-13/h1-4,9H,5-8,10H2,(H,18,22)
InChIKeyZQTOTFKDHVGVFG-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.74
Rot. Bonds4

About N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 119099836) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID119099836
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccccc1-c1cn2c(n1)SCC2
InChIInChI=1S/C17H16N4O3S/c22-14(10-21-15(23)5-6-16(21)24)18-12-4-2-1-3-11(12)13-9-20-7-8-25-17(20)19-13/h1-4,9H,5-8,10H2,(H,18,22)
InChIKeyZQTOTFKDHVGVFG-UHFFFAOYSA-N
XLogP1.74
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 121148230
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 119099848
2-(2,4-difluorophenyl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 121148491
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-iodobenzamide
CID 121148266
2-(3-chlorophenoxy)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 121148348
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
CID 121148254
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-3-carboxamide
CID 121017069
1-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)urea
CID 121149497
3,4-dichloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 121148306
3-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 121148415
1-(3-chlorophenyl)-3-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]urea
CID 121149499
5-bromo-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide
CID 119099833

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 119099836) is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1ccccc1-c1cn2c(n1)SCC2.
What is the InChIKey of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is ZQTOTFKDHVGVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c22-14(10-21-15(23)5-6-16(21)24)18-12-4-2-1-3-11(12)13-9-20-7-8-25-17(20)19-13/h1-4,9H,5-8,10H2,(H,18,22).
What are the key properties of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 356.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 119099836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).