2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole

C7H5N3O2S — CID 162247975

IUPAC2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1[nH]ccc1-c1nccs1
InChIInChI=1S/C7H5N3O2S/c11-10(12)6-5(1-2-8-6)7-9-3-4-13-7/h1-4,8H
InChIKeyWLCPBWXFAZWEMH-UHFFFAOYSA-N
MW195.20 g/mol
LogP2.05
Rot. Bonds2

About 2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole

2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole (PubChem CID 162247975) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole
PubChem CID162247975
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1[nH]ccc1-c1nccs1
InChIInChI=1S/C7H5N3O2S/c11-10(12)6-5(1-2-8-6)7-9-3-4-13-7/h1-4,8H
InChIKeyWLCPBWXFAZWEMH-UHFFFAOYSA-N
XLogP2.05
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole?
The IUPAC name of 2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole (CID 162247975) is 2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole is O=[N+]([O-])c1[nH]ccc1-c1nccs1.
What is the InChIKey of 2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole?
The InChIKey is WLCPBWXFAZWEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c11-10(12)6-5(1-2-8-6)7-9-3-4-13-7/h1-4,8H.
What are the key properties of 2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole?
2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole has a molecular weight of 195.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitro-1H-pyrrol-3-yl)-1,3-thiazole is sourced from PubChem (CID 162247975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).