1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone

C15H17N3OS — CID 122154585

IUPAC1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone
SMILESCN(CC(=O)N1CCC1)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H17N3OS/c1-17(11-14(19)18-8-2-9-18)13-5-3-12(4-6-13)15-16-7-10-20-15/h3-7,10H,2,8-9,11H2,1H3
InChIKeyYWMOLQQQWPRQIY-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.48
Rot. Bonds4

About 1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone

1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone (PubChem CID 122154585) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone
PubChem CID122154585
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone
SMILESCN(CC(=O)N1CCC1)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H17N3OS/c1-17(11-14(19)18-8-2-9-18)13-5-3-12(4-6-13)15-16-7-10-20-15/h3-7,10H,2,8-9,11H2,1H3
InChIKeyYWMOLQQQWPRQIY-UHFFFAOYSA-N
XLogP2.48
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone (CID 122154585) is 1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone is CN(CC(=O)N1CCC1)c1ccc(-c2nccs2)cc1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone?
The InChIKey is YWMOLQQQWPRQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-17(11-14(19)18-8-2-9-18)13-5-3-12(4-6-13)15-16-7-10-20-15/h3-7,10H,2,8-9,11H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone?
1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone has a molecular weight of 287.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[N-methyl-4-(1,3-thiazol-2-yl)anilino]ethanone is sourced from PubChem (CID 122154585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).