5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine

C10H9N5O2S2 — CID 63831888

IUPAC5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCc2cscn2)nc2sccn12
InChIInChI=1S/C10H9N5O2S2/c16-15(17)9-8(13-10-14(9)3-4-19-10)11-2-1-7-5-18-6-12-7/h3-6,11H,1-2H2
InChIKeyCXSSBSKBDZWWQC-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.42
Rot. Bonds5

About 5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine

5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63831888) has the molecular formula C10H9N5O2S2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63831888
Molecular FormulaC10H9N5O2S2
Molecular Weight295.35 g/mol
Exact Mass295.02
IUPAC Name5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCc2cscn2)nc2sccn12
InChIInChI=1S/C10H9N5O2S2/c16-15(17)9-8(13-10-14(9)3-4-19-10)11-2-1-7-5-18-6-12-7/h3-6,11H,1-2H2
InChIKeyCXSSBSKBDZWWQC-UHFFFAOYSA-N
XLogP2.42
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
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 5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine (CID 63831888) is 5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCCc2cscn2)nc2sccn12.
What is the InChIKey of 5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is CXSSBSKBDZWWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S2/c16-15(17)9-8(13-10-14(9)3-4-19-10)11-2-1-7-5-18-6-12-7/h3-6,11H,1-2H2.
What are the key properties of 5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 295.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63831888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).