2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C14H16N4O3S2 — CID 2462259

IUPAC2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C14H16N4O3S2/c1-8(19)18-6-11(20)17-14(18)22-7-12(21)16-13-15-9-4-2-3-5-10(9)23-13/h2-7H2,1H3,(H,15,16,21)
InChIKeyZZZIJCWRPKLWDY-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.44
Rot. Bonds3

About 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2462259) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID2462259
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC Name2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C14H16N4O3S2/c1-8(19)18-6-11(20)17-14(18)22-7-12(21)16-13-15-9-4-2-3-5-10(9)23-13/h2-7H2,1H3,(H,15,16,21)
InChIKeyZZZIJCWRPKLWDY-UHFFFAOYSA-N
XLogP1.44
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 2462259) is 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is CC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ZZZIJCWRPKLWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c1-8(19)18-6-11(20)17-14(18)22-7-12(21)16-13-15-9-4-2-3-5-10(9)23-13/h2-7H2,1H3,(H,15,16,21).
What are the key properties of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2462259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).