[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate

C10H7N3O4S — CID 90933824

IUPAC[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate
SMILESO=C(Nc1nccs1)c1ccccc1O[N+](=O)[O-]
InChIInChI=1S/C10H7N3O4S/c14-9(12-10-11-5-6-18-10)7-3-1-2-4-8(7)17-13(15)16/h1-6H,(H,11,12,14)
InChIKeyAMFPASOCFBEDRD-UHFFFAOYSA-N
MW265.25 g/mol
LogP1.97
Rot. Bonds4

About [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate

[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate (PubChem CID 90933824) has the molecular formula C10H7N3O4S and a molecular weight of 265.25 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate
PubChem CID90933824
Molecular FormulaC10H7N3O4S
Molecular Weight265.25 g/mol
Exact Mass265.02
IUPAC Name[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate
SMILESO=C(Nc1nccs1)c1ccccc1O[N+](=O)[O-]
InChIInChI=1S/C10H7N3O4S/c14-9(12-10-11-5-6-18-10)7-3-1-2-4-8(7)17-13(15)16/h1-6H,(H,11,12,14)
InChIKeyAMFPASOCFBEDRD-UHFFFAOYSA-N
XLogP1.97
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 162319898
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 112580537
4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 2859566
2-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 1301072
4-nitro-2-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 86046963
2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361114
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
2-ethoxy-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321520
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361103
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate?
The IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate (CID 90933824) is [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate.
What is the SMILES notation for [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate?
The canonical SMILES for [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate is O=C(Nc1nccs1)c1ccccc1O[N+](=O)[O-].
What is the InChIKey of [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate?
The InChIKey is AMFPASOCFBEDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4S/c14-9(12-10-11-5-6-18-10)7-3-1-2-4-8(7)17-13(15)16/h1-6H,(H,11,12,14).
What are the key properties of [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate?
[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate has a molecular weight of 265.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate is sourced from PubChem (CID 90933824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).