1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

C19H24N4O4S — CID 155974767

IUPAC1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)CN(C2CCN(c3nc4c(OC)cccc4s3)CC2)C1=O
InChIInChI=1S/C19H24N4O4S/c1-26-11-10-22-16(24)12-23(19(22)25)13-6-8-21(9-7-13)18-20-17-14(27-2)4-3-5-15(17)28-18/h3-5,13H,6-12H2,1-2H3
InChIKeyDJIIHJDIVJCYBX-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.18
Rot. Bonds6

About 1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 155974767) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID155974767
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)CN(C2CCN(c3nc4c(OC)cccc4s3)CC2)C1=O
InChIInChI=1S/C19H24N4O4S/c1-26-11-10-22-16(24)12-23(19(22)25)13-6-8-21(9-7-13)18-20-17-14(27-2)4-3-5-15(17)28-18/h3-5,13H,6-12H2,1-2H3
InChIKeyDJIIHJDIVJCYBX-UHFFFAOYSA-N
XLogP2.18
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 155974661
2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole
CID 16849815
1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603719
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide
CID 121127887
cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539384
N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328849
5-bromo-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 44896689
4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 154581269
N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 44896729
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 16941369
N-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121127878
4-methoxy-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 171705378

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (CID 155974767) is 1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1C(=O)CN(C2CCN(c3nc4c(OC)cccc4s3)CC2)C1=O.
What is the InChIKey of 1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is DJIIHJDIVJCYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-26-11-10-22-16(24)12-23(19(22)25)13-6-8-21(9-7-13)18-20-17-14(27-2)4-3-5-15(17)28-18/h3-5,13H,6-12H2,1-2H3.
What are the key properties of 1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 404.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 155974767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).