2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole

C6H4N4O2S — CID 64993272

IUPAC2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1cn[nH]c1-c1nccs1
InChIInChI=1S/C6H4N4O2S/c11-10(12)4-3-8-9-5(4)6-7-1-2-13-6/h1-3H,(H,8,9)
InChIKeyWNRJFVLIODINOD-UHFFFAOYSA-N
MW196.19 g/mol
LogP1.44
Rot. Bonds2

About 2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole

2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 64993272) has the molecular formula C6H4N4O2S and a molecular weight of 196.19 g/mol. Its IUPAC name is 2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID64993272
Molecular FormulaC6H4N4O2S
Molecular Weight196.19 g/mol
Exact Mass196.01
IUPAC Name2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1cn[nH]c1-c1nccs1
InChIInChI=1S/C6H4N4O2S/c11-10(12)4-3-8-9-5(4)6-7-1-2-13-6/h1-3H,(H,8,9)
InChIKeyWNRJFVLIODINOD-UHFFFAOYSA-N
XLogP1.44
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
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-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole (CID 64993272) is 2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole is O=[N+]([O-])c1cn[nH]c1-c1nccs1.
What is the InChIKey of 2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is WNRJFVLIODINOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2S/c11-10(12)4-3-8-9-5(4)6-7-1-2-13-6/h1-3H,(H,8,9).
What are the key properties of 2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole?
2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 196.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitro-1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 64993272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).