2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

C15H22N4O2S — CID 13387728

IUPAC2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCN1CC(N(C)C)N(c2nc3c(s2)C(=O)CC(C)(C)C3)C1=O
InChIInChI=1S/C15H22N4O2S/c1-15(2)6-9-12(10(20)7-15)22-13(16-9)19-11(17(3)4)8-18(5)14(19)21/h11H,6-8H2,1-5H3
InChIKeyWBAQVWGYKSJSLB-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.06
Rot. Bonds2

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

2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 13387728) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID13387728
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCN1CC(N(C)C)N(c2nc3c(s2)C(=O)CC(C)(C)C3)C1=O
InChIInChI=1S/C15H22N4O2S/c1-15(2)6-9-12(10(20)7-15)22-13(16-9)19-11(17(3)4)8-18(5)14(19)21/h11H,6-8H2,1-5H3
InChIKeyWBAQVWGYKSJSLB-UHFFFAOYSA-N
XLogP2.06
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 13387728) is 2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is CN1CC(N(C)C)N(c2nc3c(s2)C(=O)CC(C)(C)C3)C1=O.
What is the InChIKey of 2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is WBAQVWGYKSJSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-15(2)6-9-12(10(20)7-15)22-13(16-9)19-11(17(3)4)8-18(5)14(19)21/h11H,6-8H2,1-5H3.
What are the key properties of 2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 322.43 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 13387728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).