[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate

C25H22N2O3S — CID 18272602

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate
SMILESCc1ccc(Nc2nc(COC(=O)C(O)(c3ccccc3)c3ccccc3)cs2)cc1
InChIInChI=1S/C25H22N2O3S/c1-18-12-14-21(15-13-18)26-24-27-22(17-31-24)16-30-23(28)25(29,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,29H,16H2,1H3,(H,26,27)
InChIKeyBNRJYHRINGSXOU-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.17
Rot. Bonds7

About [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 18272602) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate
PubChem CID18272602
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate
SMILESCc1ccc(Nc2nc(COC(=O)C(O)(c3ccccc3)c3ccccc3)cs2)cc1
InChIInChI=1S/C25H22N2O3S/c1-18-12-14-21(15-13-18)26-24-27-22(17-31-24)16-30-23(28)25(29,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,29H,16H2,1H3,(H,26,27)
InChIKeyBNRJYHRINGSXOU-UHFFFAOYSA-N
XLogP5.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate 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-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-phenoxypropanoate
CID 7841415
cis-[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7669692
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,6-dimethoxybenzoate
CID 7666567
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-hydroxyethylamino)benzoate
CID 16509106
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7378421
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7891393
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(hydroxymethyl)benzoate
CID 7990685
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-bromobenzoate
CID 7662860
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-formylbenzoate
CID 7966447
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-cyclohexylpropanoate
CID 7753270
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 5237839
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(tetrazol-1-yl)benzoate
CID 7261394

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate (CID 18272602) is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate is Cc1ccc(Nc2nc(COC(=O)C(O)(c3ccccc3)c3ccccc3)cs2)cc1.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is BNRJYHRINGSXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-18-12-14-21(15-13-18)26-24-27-22(17-31-24)16-30-23(28)25(29,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,29H,16H2,1H3,(H,26,27).
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate?
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 430.53 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 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-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 18272602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).