5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one

C16H24N4O2S — CID 13387730

About 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one

5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 13387730) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

• Compound Name: 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one
• PubChem CID: 13387730
• Molecular Formula: C16H24N4O2S
• Molecular Weight: 336.46 g/mol
• Exact Mass: 336.16
• IUPAC Name: 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one
• SMILES: CCCNC1CN(C)C(=O)N1c1nc2c(s1)C(=O)CC(C)(C)C2
• InChI: InChI=1S/C16H24N4O2S/c1-5-6-17-12-9-19(4)15(22)20(12)14-18-10-7-16(2,3)8-11(21)13(10)23-14/h12,17H,5-9H2,1-4H3
• InChIKey: WOUNFKJXDCSPCZ-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.46
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one?

The IUPAC name of 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one (CID 13387730) is 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one.

What is the SMILES notation for 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one?

The canonical SMILES for 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one is CCCNC1CN(C)C(=O)N1c1nc2c(s1)C(=O)CC(C)(C)C2.

What is the InChIKey of 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one?

The InChIKey is WOUNFKJXDCSPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-5-6-17-12-9-19(4)15(22)20(12)14-18-10-7-16(2,3)8-11(21)13(10)23-14/h12,17H,5-9H2,1-4H3.

What are the key properties of 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one?

5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 336.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 13387730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).