5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole

C7H6N4O2S — CID 101439992

IUPAC5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole
SMILESCc1cnc(-n2cnc([N+](=O)[O-])c2)s1
InChIInChI=1S/C7H6N4O2S/c1-5-2-8-7(14-5)10-3-6(9-4-10)11(12)13/h2-4H,1H3
InChIKeyGUJURDBHADLJPD-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.55
Rot. Bonds2

About 5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole

5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole (PubChem CID 101439992) has the molecular formula C7H6N4O2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole
PubChem CID101439992
Molecular FormulaC7H6N4O2S
Molecular Weight210.22 g/mol
Exact Mass210.02
IUPAC Name5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole
SMILESCc1cnc(-n2cnc([N+](=O)[O-])c2)s1
InChIInChI=1S/C7H6N4O2S/c1-5-2-8-7(14-5)10-3-6(9-4-10)11(12)13/h2-4H,1H3
InChIKeyGUJURDBHADLJPD-UHFFFAOYSA-N
XLogP1.55
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole (CID 101439992) is 5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole is Cc1cnc(-n2cnc([N+](=O)[O-])c2)s1.
What is the InChIKey of 5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole?
The InChIKey is GUJURDBHADLJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2S/c1-5-2-8-7(14-5)10-3-6(9-4-10)11(12)13/h2-4H,1H3.
What are the key properties of 5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole?
5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole has a molecular weight of 210.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 101439992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).