1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide

C15H19N3O3S — CID 121127887

IUPAC1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide
SMILESCOCCNC(=O)C1CN(c2nc3c(OC)cccc3s2)C1
InChIInChI=1S/C15H19N3O3S/c1-20-7-6-16-14(19)10-8-18(9-10)15-17-13-11(21-2)4-3-5-12(13)22-15/h3-5,10H,6-9H2,1-2H3,(H,16,19)
InChIKeyPJOUHTJUHCZRDV-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.50
Rot. Bonds6

About 1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide

1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide (PubChem CID 121127887) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide
PubChem CID121127887
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide
SMILESCOCCNC(=O)C1CN(c2nc3c(OC)cccc3s2)C1
InChIInChI=1S/C15H19N3O3S/c1-20-7-6-16-14(19)10-8-18(9-10)15-17-13-11(21-2)4-3-5-12(13)22-15/h3-5,10H,6-9H2,1-2H3,(H,16,19)
InChIKeyPJOUHTJUHCZRDV-UHFFFAOYSA-N
XLogP1.50
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121127878
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
CID 121128067
N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71800303
N-cyclopentyl-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71800294
N-(3-chloro-4-methylphenyl)-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121127991
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-oxothiolan-3-yl)azetidine-3-carboxamide
CID 121128046
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 121128025
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959
(2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
CID 121127864
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]azetidine-3-carboxamide
CID 121127961
[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 121127853
N-(3-methoxypropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128147

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide?
The IUPAC name of 1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide (CID 121127887) is 1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide is COCCNC(=O)C1CN(c2nc3c(OC)cccc3s2)C1.
What is the InChIKey of 1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide?
The InChIKey is PJOUHTJUHCZRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-7-6-16-14(19)10-8-18(9-10)15-17-13-11(21-2)4-3-5-12(13)22-15/h3-5,10H,6-9H2,1-2H3,(H,16,19).
What are the key properties of 1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide?
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide is sourced from PubChem (CID 121127887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).