2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid

C21H17NO5S2 — CID 70117943

IUPAC2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1Cc1sc(S(=O)(=O)C/C=C/c3ccccc3)nc1-2
InChIInChI=1S/C21H17NO5S2/c23-19(24)13-27-17-10-4-9-15-16(17)12-18-20(15)22-21(28-18)29(25,26)11-5-8-14-6-2-1-3-7-14/h1-10H,11-13H2,(H,23,24)/b8-5+
InChIKeyUUKXQSNSGYYWAV-VMPITWQZSA-N
MW427.50 g/mol
LogP3.66
Rot. Bonds7

About 2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid

2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid (PubChem CID 70117943) has the molecular formula C21H17NO5S2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid
PubChem CID70117943
Molecular FormulaC21H17NO5S2
Molecular Weight427.50 g/mol
Exact Mass427.05
IUPAC Name2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1Cc1sc(S(=O)(=O)C/C=C/c3ccccc3)nc1-2
InChIInChI=1S/C21H17NO5S2/c23-19(24)13-27-17-10-4-9-15-16(17)12-18-20(15)22-21(28-18)29(25,26)11-5-8-14-6-2-1-3-7-14/h1-10H,11-13H2,(H,23,24)/b8-5+
InChIKeyUUKXQSNSGYYWAV-VMPITWQZSA-N
XLogP3.66
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid 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

2-[(2-benzhydrylsulfonyl-4,5-dihydrobenzo[e][1,3]benzothiazol-6-yl)oxy]acetic acid
CID 18470968
2-[(2-benzyl-4,5-dihydrobenzo[e][1,3]benzothiazol-6-yl)oxy]acetic acid
CID 18471012
2-[(2-benzhydryl-4,5-dihydrobenzo[e][1,3]benzothiazol-6-yl)oxy]acetic acid
CID 18471097
2-[[2-(benzhydrylamino)-4,5-dihydrobenzo[e][1,3]benzothiazol-6-yl]oxy]acetic acid
CID 86584197
2-[[2-(1,2-diphenylethylsulfanyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-6-yl]oxy]acetic acid
CID 18471090
2-[[5-[2-[[(E)-2-phenylethenyl]sulfonylamino]ethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
CID 19694559
2-[[2-[(2-chlorophenyl)-phenylmethyl]sulfanyl-4,5-dihydrobenzo[e][1,3]benzothiazol-6-yl]oxy]acetic acid
CID 70117876
[2-(1H-imidazol-5-ylmethyl)-4H-indeno[1,2-d][1,3]thiazol-5-yl] benzoate;hydrochloride
CID 158186230
2-[[4-benzylsulfanyl-2-(4-nitrophenyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-6-yl]oxy]acetic acid
CID 70117424
2-(2-naphthalen-2-ylphenoxy)acetic acid
CID 139923485
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid (CID 70117943) is 2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid is O=C(O)COc1cccc2c1Cc1sc(S(=O)(=O)C/C=C/c3ccccc3)nc1-2.
What is the InChIKey of 2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid?
The InChIKey is UUKXQSNSGYYWAV-VMPITWQZSA-N. The full InChI is InChI=1S/C21H17NO5S2/c23-19(24)13-27-17-10-4-9-15-16(17)12-18-20(15)22-21(28-18)29(25,26)11-5-8-14-6-2-1-3-7-14/h1-10H,11-13H2,(H,23,24)/b8-5+.
What are the key properties of 2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid?
2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid has a molecular weight of 427.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(E)-3-phenylprop-2-enyl]sulfonyl-4H-indeno[1,2-d][1,3]thiazol-5-yl]oxy]acetic acid is sourced from PubChem (CID 70117943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).