2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

C14H19N3O4S — CID 13255444

IUPAC2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCOC1C(O)N(c2nc3c(s2)C(=O)CC(C)(C)C3)C(=O)N1C
InChIInChI=1S/C14H19N3O4S/c1-14(2)5-7-9(8(18)6-14)22-12(15-7)17-10(19)11(21-4)16(3)13(17)20/h10-11,19H,5-6H2,1-4H3
InChIKeyBJHFENAYRNCJBP-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.46
Rot. Bonds2

About 2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 13255444) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID13255444
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCOC1C(O)N(c2nc3c(s2)C(=O)CC(C)(C)C3)C(=O)N1C
InChIInChI=1S/C14H19N3O4S/c1-14(2)5-7-9(8(18)6-14)22-12(15-7)17-10(19)11(21-4)16(3)13(17)20/h10-11,19H,5-6H2,1-4H3
InChIKeyBJHFENAYRNCJBP-UHFFFAOYSA-N
XLogP1.46
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(dimethylamino)-3-methyl-2-oxoimidazolidin-1-yl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 13387728
1-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methylimidazolidine-2,4,5-trione
CID 13255448
5,5-dimethyl-2-[3-methyl-2-oxo-5-(propylamino)imidazolidin-1-yl]-4,6-dihydro-1,3-benzothiazol-7-one
CID 13387730
1-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-ethylimidazolidine-2,4,5-trione
CID 13387709
2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 587874
2-ethyl-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62090244
2-[4-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)morpholin-2-yl]acetic acid
CID 66932908
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methylimidazole-4-carboxamide
CID 154737728
1-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,3,3-trimethylurea
CID 20504323
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 24955799
2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62089905
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 2055840

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 13255444) is 2-(5-hydroxy-4-methoxy-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-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is COC1C(O)N(c2nc3c(s2)C(=O)CC(C)(C)C3)C(=O)N1C.
What is the InChIKey of 2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is BJHFENAYRNCJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-14(2)5-7-9(8(18)6-14)22-12(15-7)17-10(19)11(21-4)16(3)13(17)20/h10-11,19H,5-6H2,1-4H3.
What are the key properties of 2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 325.39 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-4-methoxy-3-methyl-2-oxoimidazolidin-1-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 13255444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).