acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole

C23H23ClFNO3S — CID 142365860

IUPACacetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole
SMILESCC(=O)O.Cc1sc(-c2ccc(F)c(Cl)c2)nc1CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C21H19ClFNOS.C2H4O2/c1-13-20(24-21(26-13)16-6-8-19(23)18(22)12-16)9-10-25-17-7-5-14-3-2-4-15(14)11-17;1-2(3)4/h5-8,11-12H,2-4,9-10H2,1H3;1H3,(H,3,4)
InChIKeyWIBDPIDOAUNGFX-UHFFFAOYSA-N
MW447.96 g/mol
LogP6.11
Rot. Bonds5

About acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole

acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole (PubChem CID 142365860) has the molecular formula C23H23ClFNO3S and a molecular weight of 447.96 g/mol. Its IUPAC name is acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Nameacetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole
PubChem CID142365860
Molecular FormulaC23H23ClFNO3S
Molecular Weight447.96 g/mol
Exact Mass447.11
IUPAC Nameacetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole
SMILESCC(=O)O.Cc1sc(-c2ccc(F)c(Cl)c2)nc1CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C21H19ClFNOS.C2H4O2/c1-13-20(24-21(26-13)16-6-8-19(23)18(22)12-16)9-10-25-17-7-5-14-3-2-4-15(14)11-17;1-2(3)4/h5-8,11-12H,2-4,9-10H2,1H3;1H3,(H,3,4)
InChIKeyWIBDPIDOAUNGFX-UHFFFAOYSA-N
XLogP6.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.96
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole 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

acetic acid;2-(3,4-dichlorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole
CID 142365867
2-[(1S)-5-[2-[2-(3-chloro-4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetaldehyde
CID 88583454
[5-[2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl] acetate
CID 69144373
2-[(1S)-5-[2-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 58700765
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride
CID 173235311
methyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306502
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
(2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid
CID 18343041
1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid
CID 19618760
1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone
CID 91231788

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole?
The IUPAC name of acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole (CID 142365860) is acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole?
The canonical SMILES for acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole is CC(=O)O.Cc1sc(-c2ccc(F)c(Cl)c2)nc1CCOc1ccc2c(c1)CCC2.
What is the InChIKey of acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole?
The InChIKey is WIBDPIDOAUNGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFNOS.C2H4O2/c1-13-20(24-21(26-13)16-6-8-19(23)18(22)12-16)9-10-25-17-7-5-14-3-2-4-15(14)11-17;1-2(3)4/h5-8,11-12H,2-4,9-10H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole?
acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole has a molecular weight of 447.96 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(3-chloro-4-fluorophenyl)-4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 142365860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).