[3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate

C15H14N2O5S — CID 91901840

IUPAC[3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(N(C(C)=O)c2nc(OC(C)=O)cs2)c1
InChIInChI=1S/C15H14N2O5S/c1-9(18)17(15-16-14(8-23-15)22-11(3)20)12-5-4-6-13(7-12)21-10(2)19/h4-8H,1-3H3
InChIKeyWJNQBIGERUBONI-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.68
Rot. Bonds4

About [3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate

[3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate (PubChem CID 91901840) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is [3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate.

Molecular Properties

Compound Name[3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate
PubChem CID91901840
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name[3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(N(C(C)=O)c2nc(OC(C)=O)cs2)c1
InChIInChI=1S/C15H14N2O5S/c1-9(18)17(15-16-14(8-23-15)22-11(3)20)12-5-4-6-13(7-12)21-10(2)19/h4-8H,1-3H3
InChIKeyWJNQBIGERUBONI-UHFFFAOYSA-N
XLogP2.68
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]-3-methylphenyl] acetate
CID 165111966
5-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylic acid
CID 165111908
N-[4-[(Z)-methoxyiminomethyl]-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)acetamide
CID 27718171
N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
CID 3728040
N-[4-[(4-benzoylphenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16611293
N-(3-methylphenyl)-N-[4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
CID 16611297
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
CID 7704963
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-yloxybenzoate
CID 16502918
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (2R)-2-phenoxypropanoate
CID 8790409
[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methyl 2,3-dimethylbenzoate
CID 7968229
[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]methyl 3-methoxybenzoate
CID 16522192
(4-fluorophenyl) (E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]prop-2-enoate
CID 24656471

Frequently Asked Questions

What is the IUPAC name of [3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate?
The IUPAC name of [3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate (CID 91901840) is [3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate.
What is the SMILES notation for [3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate?
The canonical SMILES for [3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate is CC(=O)Oc1cccc(N(C(C)=O)c2nc(OC(C)=O)cs2)c1.
What is the InChIKey of [3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate?
The InChIKey is WJNQBIGERUBONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-9(18)17(15-16-14(8-23-15)22-11(3)20)12-5-4-6-13(7-12)21-10(2)19/h4-8H,1-3H3.
What are the key properties of [3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate?
[3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate has a molecular weight of 334.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[acetyl-(4-acetyloxy-1,3-thiazol-2-yl)amino]phenyl] acetate is sourced from PubChem (CID 91901840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).