1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one

C15H15N3O3S — CID 9123447

IUPAC1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one
SMILESCc1csc(-c2ccc(OCC(=O)N3CCNC3=O)cc2)n1
InChIInChI=1S/C15H15N3O3S/c1-10-9-22-14(17-10)11-2-4-12(5-3-11)21-8-13(19)18-7-6-16-15(18)20/h2-5,9H,6-8H2,1H3,(H,16,20)
InChIKeyCAYJKCWXVKOVAC-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one

1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one (PubChem CID 9123447) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one
PubChem CID9123447
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one
SMILESCc1csc(-c2ccc(OCC(=O)N3CCNC3=O)cc2)n1
InChIInChI=1S/C15H15N3O3S/c1-10-9-22-14(17-10)11-2-4-12(5-3-11)21-8-13(19)18-7-6-16-15(18)20/h2-5,9H,6-8H2,1H3,(H,16,20)
InChIKeyCAYJKCWXVKOVAC-UHFFFAOYSA-N
XLogP2.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
1-[2-(4-aminophenoxy)acetyl]imidazolidin-2-one
CID 54909200
3,3-dimethyl-4-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]-1H-quinoxalin-2-one
CID 9123392
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
3-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]but-2-enoic acid
CID 77005623
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 9123633
2,2-dimethyl-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propanoic acid
CID 79622789
4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570309
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123769

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one (CID 9123447) is 1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one is Cc1csc(-c2ccc(OCC(=O)N3CCNC3=O)cc2)n1.
What is the InChIKey of 1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one?
The InChIKey is CAYJKCWXVKOVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-10-9-22-14(17-10)11-2-4-12(5-3-11)21-8-13(19)18-7-6-16-15(18)20/h2-5,9H,6-8H2,1H3,(H,16,20).
What are the key properties of 1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one?
1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one has a molecular weight of 317.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9123447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).