3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole

C11H10N4O3S2 — CID 24508020

IUPAC3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O3S2/c1-6-8(7(2)18-13-6)5-20-9-10(15(16)17)14-3-4-19-11(14)12-9/h3-4H,5H2,1-2H3
InChIKeyOZVMDTBVHKLSCV-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.20
Rot. Bonds4

About 3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole

3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 24508020) has the molecular formula C11H10N4O3S2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole
PubChem CID24508020
Molecular FormulaC11H10N4O3S2
Molecular Weight310.36 g/mol
Exact Mass310.02
IUPAC Name3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O3S2/c1-6-8(7(2)18-13-6)5-20-9-10(15(16)17)14-3-4-19-11(14)12-9/h3-4H,5H2,1-2H3
InChIKeyOZVMDTBVHKLSCV-UHFFFAOYSA-N
XLogP3.20
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole (CID 24508020) is 3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole is Cc1noc(C)c1CSc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole?
The InChIKey is OZVMDTBVHKLSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S2/c1-6-8(7(2)18-13-6)5-20-9-10(15(16)17)14-3-4-19-11(14)12-9/h3-4H,5H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole?
3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 310.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 24508020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).