4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole

C10H6N4O2S — CID 11557818

IUPAC4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc2nc(-c3cscn3)[nH]c2c1
InChIInChI=1S/C10H6N4O2S/c15-14(16)6-1-2-7-8(3-6)13-10(12-7)9-4-17-5-11-9/h1-5H,(H,12,13)
InChIKeyLPEUFGNVMRMLRM-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.59
Rot. Bonds2

About 4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole

4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole (PubChem CID 11557818) has the molecular formula C10H6N4O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole
PubChem CID11557818
Molecular FormulaC10H6N4O2S
Molecular Weight246.25 g/mol
Exact Mass246.02
IUPAC Name4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc2nc(-c3cscn3)[nH]c2c1
InChIInChI=1S/C10H6N4O2S/c15-14(16)6-1-2-7-8(3-6)13-10(12-7)9-4-17-5-11-9/h1-5H,(H,12,13)
InChIKeyLPEUFGNVMRMLRM-UHFFFAOYSA-N
XLogP2.59
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.59
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 4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole (CID 11557818) is 4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole is O=[N+]([O-])c1ccc2nc(-c3cscn3)[nH]c2c1.
What is the InChIKey of 4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole?
The InChIKey is LPEUFGNVMRMLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2S/c15-14(16)6-1-2-7-8(3-6)13-10(12-7)9-4-17-5-11-9/h1-5H,(H,12,13).
What are the key properties of 4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole?
4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole has a molecular weight of 246.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 11557818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).