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

C18H21ClN4O3S — CID 155974661

IUPAC1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)CN(C2CCN(c3nc4c(Cl)cccc4s3)CC2)C1=O
InChIInChI=1S/C18H21ClN4O3S/c1-26-10-9-22-15(24)11-23(18(22)25)12-5-7-21(8-6-12)17-20-16-13(19)3-2-4-14(16)27-17/h2-4,12H,5-11H2,1H3
InChIKeyMNXWKFXTYAJPQP-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.83
Rot. Bonds5

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

1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 155974661) has the molecular formula C18H21ClN4O3S and a molecular weight of 408.91 g/mol. Its IUPAC name is 1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID155974661
Molecular FormulaC18H21ClN4O3S
Molecular Weight408.91 g/mol
Exact Mass408.10
IUPAC Name1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)CN(C2CCN(c3nc4c(Cl)cccc4s3)CC2)C1=O
InChIInChI=1S/C18H21ClN4O3S/c1-26-10-9-22-15(24)11-23(18(22)25)12-5-7-21(8-6-12)17-20-16-13(19)3-2-4-14(16)27-17/h2-4,12H,5-11H2,1H3
InChIKeyMNXWKFXTYAJPQP-UHFFFAOYSA-N
XLogP2.83
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-Chloro-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 6489804
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2746594
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7539094
4-(4-Chlorobenzo[d]thiazol-2-yl)morpholine
CID 3237878
[3-(4-Chloro-benzothiazol-2-ylmethyl)-2,4,5-trioxo-imidazolidin-1-yl]-acetic acid
CID 9884914
2-[3-[(4-Chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxoimidazolidin-1-yl]acetic acid
CID 10783309
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 7539085
(4-(4-Chlorobenzo[d]thiazol-2-yl)piperazin-1-yl)(cyclopropyl)methanone
CID 7539519
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 7615564
N~2~-(4-Chloro-1,3-benzothiazol-2-YL)-N~2~-[3-(dimethylamino)propyl]-1,3-benzothiazole-2-carboxamide
CID 16808822
[4-(4-Chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 56683270
1-(4-(6-Chlorobenzo[d]thiazol-2-yl)piperazin-1-yl)ethanone
CID 2746593

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (CID 155974661) is 1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1C(=O)CN(C2CCN(c3nc4c(Cl)cccc4s3)CC2)C1=O.
What is the InChIKey of 1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is MNXWKFXTYAJPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3S/c1-26-10-9-22-15(24)11-23(18(22)25)12-5-7-21(8-6-12)17-20-16-13(19)3-2-4-14(16)27-17/h2-4,12H,5-11H2,1H3.
What are the key properties of 1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 408.91 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 155974661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).