5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol

C15H13N3O4S — CID 17440442

IUPAC5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO=[N+]([O-])c1c(Oc2cccc3c2CCCC3O)nc2sccn12
InChIInChI=1S/C15H13N3O4S/c19-11-5-1-4-10-9(11)3-2-6-12(10)22-13-14(18(20)21)17-7-8-23-15(17)16-13/h2-3,6-8,11,19H,1,4-5H2
InChIKeyPYCVQAZNICAZJA-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.47
Rot. Bonds3

About 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol

5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 17440442) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID17440442
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO=[N+]([O-])c1c(Oc2cccc3c2CCCC3O)nc2sccn12
InChIInChI=1S/C15H13N3O4S/c19-11-5-1-4-10-9(11)3-2-6-12(10)22-13-14(18(20)21)17-7-8-23-15(17)16-13/h2-3,6-8,11,19H,1,4-5H2
InChIKeyPYCVQAZNICAZJA-UHFFFAOYSA-N
XLogP3.47
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 17440442) is 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol is O=[N+]([O-])c1c(Oc2cccc3c2CCCC3O)nc2sccn12.
What is the InChIKey of 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is PYCVQAZNICAZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c19-11-5-1-4-10-9(11)3-2-6-12(10)22-13-14(18(20)21)17-7-8-23-15(17)16-13/h2-3,6-8,11,19H,1,4-5H2.
What are the key properties of 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol?
5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 331.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 17440442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).