(2-amino-5-phenylthiophen-3-yl) acetate

C12H11NO2S — CID 174546159

IUPAC(2-amino-5-phenylthiophen-3-yl) acetate
SMILESCC(=O)Oc1cc(-c2ccccc2)sc1N
InChIInChI=1S/C12H11NO2S/c1-8(14)15-10-7-11(16-12(10)13)9-5-3-2-4-6-9/h2-7H,13H2,1H3
InChIKeyWWEZODBHXQIHFU-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.92
Rot. Bonds2

About (2-amino-5-phenylthiophen-3-yl) acetate

(2-amino-5-phenylthiophen-3-yl) acetate (PubChem CID 174546159) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is (2-amino-5-phenylthiophen-3-yl) acetate.

Molecular Properties

Compound Name(2-amino-5-phenylthiophen-3-yl) acetate
PubChem CID174546159
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name(2-amino-5-phenylthiophen-3-yl) acetate
SMILESCC(=O)Oc1cc(-c2ccccc2)sc1N
InChIInChI=1S/C12H11NO2S/c1-8(14)15-10-7-11(16-12(10)13)9-5-3-2-4-6-9/h2-7H,13H2,1H3
InChIKeyWWEZODBHXQIHFU-UHFFFAOYSA-N
XLogP2.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-3-phenylpyridazin-4-yl) acetate
CID 110272658
1-(3-amino-5-phenylthiophen-2-yl)ethanone
CID 2807849
[2-(3-oxobutanoyloxy)-5-phenylthiophen-3-yl] 3-oxobutanoate
CID 175247532
phenyl 3-methoxy-5-phenylthiophene-2-carboxylate
CID 139631603
(2-hydroxy-5-phenylphenyl) acetate
CID 19755516
(2,4-diphenylphenyl) acetate
CID 57057849
(2-chloro-3-phenylphenyl) acetate
CID 54501671
[4-(4-acetyloxy-3-aminophenyl)-2-aminophenyl] acetate
CID 172815309
(4-hydroxy-2-methyl-5-phenylphenyl) acetate
CID 10728858
(4-hydroxy-2-methyl-6-phenylthieno[2,3-e]thiazin-3-yl) acetate
CID 174427892
2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
CID 134815708
(1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate
CID 110272835

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-phenylthiophen-3-yl) acetate?
The IUPAC name of (2-amino-5-phenylthiophen-3-yl) acetate (CID 174546159) is (2-amino-5-phenylthiophen-3-yl) acetate.
What is the SMILES notation for (2-amino-5-phenylthiophen-3-yl) acetate?
The canonical SMILES for (2-amino-5-phenylthiophen-3-yl) acetate is CC(=O)Oc1cc(-c2ccccc2)sc1N.
What is the InChIKey of (2-amino-5-phenylthiophen-3-yl) acetate?
The InChIKey is WWEZODBHXQIHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8(14)15-10-7-11(16-12(10)13)9-5-3-2-4-6-9/h2-7H,13H2,1H3.
What are the key properties of (2-amino-5-phenylthiophen-3-yl) acetate?
(2-amino-5-phenylthiophen-3-yl) acetate has a molecular weight of 233.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-phenylthiophen-3-yl) acetate is sourced from PubChem (CID 174546159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).