acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate

C17H14N2O4S2 — CID 155537147

IUPACacetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate
SMILESCC(=O)OCOC(=O)c1ccc(Nc2nc(-c3ccsc3)cs2)cc1
InChIInChI=1S/C17H14N2O4S2/c1-11(20)22-10-23-16(21)12-2-4-14(5-3-12)18-17-19-15(9-25-17)13-6-7-24-8-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyJHHUZGULPKJASI-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.29
Rot. Bonds6

About acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate

acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate (PubChem CID 155537147) has the molecular formula C17H14N2O4S2 and a molecular weight of 374.44 g/mol. Its IUPAC name is acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate.

Molecular Properties

Compound Nameacetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate
PubChem CID155537147
Molecular FormulaC17H14N2O4S2
Molecular Weight374.44 g/mol
Exact Mass374.04
IUPAC Nameacetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate
SMILESCC(=O)OCOC(=O)c1ccc(Nc2nc(-c3ccsc3)cs2)cc1
InChIInChI=1S/C17H14N2O4S2/c1-11(20)22-10-23-16(21)12-2-4-14(5-3-12)18-17-19-15(9-25-17)13-6-7-24-8-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyJHHUZGULPKJASI-UHFFFAOYSA-N
XLogP4.29
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 58910528
ethyl 2-oxo-2-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]acetate
CID 3068160
4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
CID 82030598
1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 82028259
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
1-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564238
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-formylbenzoate
CID 7966447
ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzoate;hydrobromide
CID 160990265
4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzoate
CID 3513785

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate?
The IUPAC name of acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate (CID 155537147) is acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate.
What is the SMILES notation for acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate?
The canonical SMILES for acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate is CC(=O)OCOC(=O)c1ccc(Nc2nc(-c3ccsc3)cs2)cc1.
What is the InChIKey of acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate?
The InChIKey is JHHUZGULPKJASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S2/c1-11(20)22-10-23-16(21)12-2-4-14(5-3-12)18-17-19-15(9-25-17)13-6-7-24-8-13/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate?
acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate has a molecular weight of 374.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 4-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]benzoate is sourced from PubChem (CID 155537147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).