(4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate

C11H8N2O4S — CID 119087812

IUPAC(4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate
SMILESO=C(Cc1ccns1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8N2O4S/c14-11(7-10-5-6-12-18-10)17-9-3-1-8(2-4-9)13(15)16/h1-6H,7H2
InChIKeyBYTMTKDUBXGFHK-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.20
Rot. Bonds4

About (4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate

(4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate (PubChem CID 119087812) has the molecular formula C11H8N2O4S and a molecular weight of 264.26 g/mol. Its IUPAC name is (4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate.

Molecular Properties

Compound Name(4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate
PubChem CID119087812
Molecular FormulaC11H8N2O4S
Molecular Weight264.26 g/mol
Exact Mass264.02
IUPAC Name(4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate
SMILESO=C(Cc1ccns1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8N2O4S/c14-11(7-10-5-6-12-18-10)17-9-3-1-8(2-4-9)13(15)16/h1-6H,7H2
InChIKeyBYTMTKDUBXGFHK-UHFFFAOYSA-N
XLogP2.20
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

CID 174317395
CID 174317395
(4-nitrophenyl) 2-(3,4-dichlorophenyl)acetate
CID 7900958
3-(4-nitrophenoxy)-3-oxopropanoic acid
CID 14314981
(4-nitrophenyl) 2-cyanoacetate
CID 12861984
[2-(4-nitrophenoxy)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 175037095
(4-nitrophenyl) pent-4-ynoate
CID 59471197
(4-nitrophenyl) 4-(4-nitrophenoxy)butanoate
CID 14661644
(4-nitrophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 7900912
(4-nitrophenyl) 4-(1,3-thiazol-5-yl)butanoate
CID 118328099
carbon dioxide;(4-nitrophenyl) 2-(6-methyl-2-pyridinyl)acetate
CID 161001275
ethyl 2-[2-(4-nitrophenoxy)-2-oxoethyl]cyclohexene-1-carboxylate
CID 162015063
3-O-(4-nitrophenyl) 1-O-(4-nitrosophenyl) propanedioate
CID 88551647

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate?
The IUPAC name of (4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate (CID 119087812) is (4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate.
What is the SMILES notation for (4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate?
The canonical SMILES for (4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate is O=C(Cc1ccns1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate?
The InChIKey is BYTMTKDUBXGFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4S/c14-11(7-10-5-6-12-18-10)17-9-3-1-8(2-4-9)13(15)16/h1-6H,7H2.
What are the key properties of (4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate?
(4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate has a molecular weight of 264.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) 2-(1,2-thiazol-5-yl)acetate is sourced from PubChem (CID 119087812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).