2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one

C18H23N3O2S — CID 3407213

IUPAC2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
SMILESCCCOCCCN1C(=O)CSC1c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H23N3O2S/c1-2-10-23-11-6-9-21-16(22)13-24-18(21)15-12-19-17(20-15)14-7-4-3-5-8-14/h3-5,7-8,12,18H,2,6,9-11,13H2,1H3,(H,19,20)
InChIKeyYTAMSUFNRZRZAE-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.47
Rot. Bonds8

About 2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one

2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one (PubChem CID 3407213) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
PubChem CID3407213
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
SMILESCCCOCCCN1C(=O)CSC1c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H23N3O2S/c1-2-10-23-11-6-9-21-16(22)13-24-18(21)15-12-19-17(20-15)14-7-4-3-5-8-14/h3-5,7-8,12,18H,2,6,9-11,13H2,1H3,(H,19,20)
InChIKeyYTAMSUFNRZRZAE-UHFFFAOYSA-N
XLogP3.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 3865748
3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 3866351
2-(2-phenyl-1H-imidazol-5-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 23825502
3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 3865741
3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 5183846
2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
CID 3421491
methyl 3-[4-oxo-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazinan-3-yl]propanoate
CID 3747714
3-(3-propoxypropyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3852808
3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792966
3-(3-butoxypropyl)-2-(2-prop-2-enoxyphenyl)-1,3-thiazolidin-4-one
CID 4679956
2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
CID 3697497
3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4995229

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one (CID 3407213) is 2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one is CCCOCCCN1C(=O)CSC1c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is YTAMSUFNRZRZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-10-23-11-6-9-21-16(22)13-24-18(21)15-12-19-17(20-15)14-7-4-3-5-8-14/h3-5,7-8,12,18H,2,6,9-11,13H2,1H3,(H,19,20).
What are the key properties of 2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 345.47 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3407213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).