8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one

C24H32F3NO3S — CID 154063137

IUPAC8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one
SMILESCCCCc1c(OCCCCN2CCSC2)c(CCC)cc2c(C(F)(F)F)cc(=O)oc12
InChIInChI=1S/C24H32F3NO3S/c1-3-5-9-18-22(30-12-7-6-10-28-11-13-32-16-28)17(8-4-2)14-19-20(24(25,26)27)15-21(29)31-23(18)19/h14-15H,3-13,16H2,1-2H3
InChIKeyQQVPQAGXAFWOBJ-UHFFFAOYSA-N
MW471.59 g/mol
LogP6.27
Rot. Bonds11

About 8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one

8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one (PubChem CID 154063137) has the molecular formula C24H32F3NO3S and a molecular weight of 471.59 g/mol. Its IUPAC name is 8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one
PubChem CID154063137
Molecular FormulaC24H32F3NO3S
Molecular Weight471.59 g/mol
Exact Mass471.21
IUPAC Name8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one
SMILESCCCCc1c(OCCCCN2CCSC2)c(CCC)cc2c(C(F)(F)F)cc(=O)oc12
InChIInChI=1S/C24H32F3NO3S/c1-3-5-9-18-22(30-12-7-6-10-28-11-13-32-16-28)17(8-4-2)14-19-20(24(25,26)27)15-21(29)31-23(18)19/h14-15H,3-13,16H2,1-2H3
InChIKeyQQVPQAGXAFWOBJ-UHFFFAOYSA-N
XLogP6.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.59
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-(2,5-dihydroxypyrrol-1-yl)butoxy]-8-ethyl-6-propyl-4-(trifluoromethyl)chromen-2-one
CID 90781803
3-[3-[8-ethyl-2-oxo-6-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]-4-hydroxy-1,3-thiazol-2-one
CID 90823087
7-[5-(3-propan-2-ylimidazolidin-1-yl)pentoxy]-8-propyl-4-(trifluoromethyl)chromen-2-one
CID 87480962
3-[4-[2-oxo-6,8-dipropyl-4-(trifluoromethyl)chromen-7-yl]oxybut-2-enyl]-1,3-thiazolidine-2,4-dione
CID 76675816
N-[methyl(1-phenylethyl)carbamoyl]-N-[4-[2-oxo-6,8-dipropyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]formamide
CID 88954582
7-(6-aminohexoxy)-8-propyl-4-(trifluoromethyl)chromen-2-one
CID 89009766
3-[3-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypropyl]triazolidin-4-one
CID 162557380
4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]-1-(2,2,2-trifluoroethyl)imidazol-2-one
CID 90776894
4-hydroxy-3-[2-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxyethyl]-1,3-thiazol-2-one
CID 91002320
tert-butyl 4-[4-methyl-2,5-dioxo-3-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]imidazolidin-4-yl]benzoate
CID 89147675
2-amino-N-formyl-2-(4-methylphenyl)-N-[4-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]propanamide
CID 143856029
1-(2,5-difluorophenyl)-4-hydroxy-3-[5-[2-oxo-8-propyl-4-(trifluoromethyl)chromen-7-yl]oxypentyl]imidazol-2-one
CID 90932247

Frequently Asked Questions

What is the IUPAC name of 8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one (CID 154063137) is 8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one is CCCCc1c(OCCCCN2CCSC2)c(CCC)cc2c(C(F)(F)F)cc(=O)oc12.
What is the InChIKey of 8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one?
The InChIKey is QQVPQAGXAFWOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3NO3S/c1-3-5-9-18-22(30-12-7-6-10-28-11-13-32-16-28)17(8-4-2)14-19-20(24(25,26)27)15-21(29)31-23(18)19/h14-15H,3-13,16H2,1-2H3.
What are the key properties of 8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one?
8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one has a molecular weight of 471.59 g/mol, XLogP of 6.27, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-6-propyl-7-[4-(1,3-thiazolidin-3-yl)butoxy]-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 154063137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).