1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one

C15H18N4O2S — CID 167021244

IUPAC1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one
SMILESCN(C)CC1CNC(=O)N1c1nc2c3c(ccc2s1)OCC3
InChIInChI=1S/C15H18N4O2S/c1-18(2)8-9-7-16-14(20)19(9)15-17-13-10-5-6-21-11(10)3-4-12(13)22-15/h3-4,9H,5-8H2,1-2H3,(H,16,20)
InChIKeyUKOORMSOVCOUNG-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.69
Rot. Bonds3

About 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one

1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one (PubChem CID 167021244) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one
PubChem CID167021244
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one
SMILESCN(C)CC1CNC(=O)N1c1nc2c3c(ccc2s1)OCC3
InChIInChI=1S/C15H18N4O2S/c1-18(2)8-9-7-16-14(20)19(9)15-17-13-10-5-6-21-11(10)3-4-12(13)22-15/h3-4,9H,5-8H2,1-2H3,(H,16,20)
InChIKeyUKOORMSOVCOUNG-UHFFFAOYSA-N
XLogP1.69
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one with MolForge

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Related Compounds

(5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one
CID 175889961
(5S)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-4,5-dimethylimidazolidin-2-one
CID 166682478
(3aR,4R,6aR)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-4-(dimethylamino)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one
CID 167445465
(3aS,6S,6aR)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-(dimethylamino)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one
CID 167445492
(3aS,8aR)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-methyl-3a,4,6,7,8,8a-hexahydro-3H-imidazo[4,5-c]azepin-2-one
CID 170032351
(3aR,6R,6aS)-6-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one
CID 167445502
(3aR,6S,7aR)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one
CID 162761451
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-4-methylimidazolidin-2-one
CID 170519464
1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazol-2-one
CID 170379728
1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)spiro[3,3a,4,5,7,7a-hexahydroimidazo[4,5-c]pyridine-6,1'-cyclopropane]-2-one
CID 170032658
(3aR,7R,7aR)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-7-fluoro-5-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 170032758
2-[[(3aR,5S,6aS)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-2-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-5-yl]amino]acetonitrile
CID 177070937

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one?
The IUPAC name of 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one (CID 167021244) is 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one is CN(C)CC1CNC(=O)N1c1nc2c3c(ccc2s1)OCC3.
What is the InChIKey of 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one?
The InChIKey is UKOORMSOVCOUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-18(2)8-9-7-16-14(20)19(9)15-17-13-10-5-6-21-11(10)3-4-12(13)22-15/h3-4,9H,5-8H2,1-2H3,(H,16,20).
What are the key properties of 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one?
1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one has a molecular weight of 318.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one is sourced from PubChem (CID 167021244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).