(4-nitrophenyl)-(1,3-thiazol-2-yl)methanone

C10H6N2O3S — CID 10263418

IUPAC(4-nitrophenyl)-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1nccs1
InChIInChI=1S/C10H6N2O3S/c13-9(10-11-5-6-16-10)7-1-3-8(4-2-7)12(14)15/h1-6H
InChIKeyJJYCVBMNMBNAJI-UHFFFAOYSA-N
MW234.24 g/mol
LogP2.28
Rot. Bonds3

About (4-nitrophenyl)-(1,3-thiazol-2-yl)methanone

(4-nitrophenyl)-(1,3-thiazol-2-yl)methanone (PubChem CID 10263418) has the molecular formula C10H6N2O3S and a molecular weight of 234.24 g/mol. Its IUPAC name is (4-nitrophenyl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-nitrophenyl)-(1,3-thiazol-2-yl)methanone
PubChem CID10263418
Molecular FormulaC10H6N2O3S
Molecular Weight234.24 g/mol
Exact Mass234.01
IUPAC Name(4-nitrophenyl)-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1nccs1
InChIInChI=1S/C10H6N2O3S/c13-9(10-11-5-6-16-10)7-1-3-8(4-2-7)12(14)15/h1-6H
InChIKeyJJYCVBMNMBNAJI-UHFFFAOYSA-N
XLogP2.28
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Benzoyl-1,3-thiazole
CID 569967
[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] 4-nitrobenzoate
CID 44141913
(2-Aminophenyl)(thiazol-2-yl)methanone
CID 12212474
2-(4-Nitrobenzyl)-1,3-thiazole
CID 69210445
(4-Nitrophenyl)-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]methanone
CID 87299457
(4-Fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone
CID 91622014
2-Fluoro-4-nitro-3-(1,3-thiazol-2-yl)benzamide
CID 142775335
3-Fluoro-4-nitro-2-(1,3-thiazol-2-yl)benzamide
CID 142778472
(5-Amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone
CID 143451810
(2-Nitrophenyl)(thiazol-2-yl)methanone
CID 10988180
2-bromo-N-(4-nitrophenacyl)thiazolium bromide
CID 129876802
(e)-1-(4-Nitrophenyl)-3-[4-(pyridin-4-yl)thiazol2-yl]prop-2-en-1-one
CID 145925951

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (4-nitrophenyl)-(1,3-thiazol-2-yl)methanone (CID 10263418) is (4-nitrophenyl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (4-nitrophenyl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (4-nitrophenyl)-(1,3-thiazol-2-yl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)c1nccs1.
What is the InChIKey of (4-nitrophenyl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is JJYCVBMNMBNAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3S/c13-9(10-11-5-6-16-10)7-1-3-8(4-2-7)12(14)15/h1-6H.
What are the key properties of (4-nitrophenyl)-(1,3-thiazol-2-yl)methanone?
(4-nitrophenyl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 234.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 10263418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).