[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C22H22N2O3S — CID 7224449

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCc1ccc(Nc2nc(COC(=O)COc3ccc4c(c3)CCC4)cs2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-5-8-18(9-6-15)23-22-24-19(14-28-22)12-27-21(25)13-26-20-10-7-16-3-2-4-17(16)11-20/h5-11,14H,2-4,12-13H2,1H3,(H,23,24)
InChIKeyRNBUVEMARVZKNS-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.81
Rot. Bonds7

About [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 7224449) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID7224449
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCc1ccc(Nc2nc(COC(=O)COc3ccc4c(c3)CCC4)cs2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-5-8-18(9-6-15)23-22-24-19(14-28-22)12-27-21(25)13-26-20-10-7-16-3-2-4-17(16)11-20/h5-11,14H,2-4,12-13H2,1H3,(H,23,24)
InChIKeyRNBUVEMARVZKNS-UHFFFAOYSA-N
XLogP4.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate with MolForge

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Related Compounds

[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 8874317
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-5-methylphenoxy)acetate
CID 7224446
ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate
CID 3074896
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-phenoxypropanoate
CID 7841415
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate
CID 7753270
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate
CID 7486994
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(2-methylpropoxy)benzoate
CID 7175653
cis-[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7669692
(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 9404250
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 7846114
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7378421

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 7224449) is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is Cc1ccc(Nc2nc(COC(=O)COc3ccc4c(c3)CCC4)cs2)cc1.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is RNBUVEMARVZKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-5-8-18(9-6-15)23-22-24-19(14-28-22)12-27-21(25)13-26-20-10-7-16-3-2-4-17(16)11-20/h5-11,14H,2-4,12-13H2,1H3,(H,23,24).
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 394.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 7224449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).