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

C10H6N2O3S — CID 10988180

IUPAC(2-nitrophenyl)-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H6N2O3S/c13-9(10-11-5-6-16-10)7-3-1-2-4-8(7)12(14)15/h1-6H
InChIKeyNDYNMXBPRFUZLA-UHFFFAOYSA-N
MW234.24 g/mol
LogP2.28
Rot. Bonds3

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

(2-nitrophenyl)-(1,3-thiazol-2-yl)methanone (PubChem CID 10988180) has the molecular formula C10H6N2O3S and a molecular weight of 234.24 g/mol. Its IUPAC name is (2-nitrophenyl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(2-nitrophenyl)-(1,3-thiazol-2-yl)methanone
PubChem CID10988180
Molecular FormulaC10H6N2O3S
Molecular Weight234.24 g/mol
Exact Mass234.01
IUPAC Name(2-nitrophenyl)-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H6N2O3S/c13-9(10-11-5-6-16-10)7-3-1-2-4-8(7)12(14)15/h1-6H
InChIKeyNDYNMXBPRFUZLA-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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Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (2-nitrophenyl)-(1,3-thiazol-2-yl)methanone (CID 10988180) is (2-nitrophenyl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (2-nitrophenyl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (2-nitrophenyl)-(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is NDYNMXBPRFUZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3S/c13-9(10-11-5-6-16-10)7-3-1-2-4-8(7)12(14)15/h1-6H.
What are the key properties of (2-nitrophenyl)-(1,3-thiazol-2-yl)methanone?
(2-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 (2-nitrophenyl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 10988180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).