5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine

C14H11N7O2S — CID 167846442

IUPAC5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(Nc2ccn(Cc3ccccn3)n2)nc2sccn12
InChIInChI=1S/C14H11N7O2S/c22-21(23)13-12(17-14-20(13)7-8-24-14)16-11-4-6-19(18-11)9-10-3-1-2-5-15-10/h1-8H,9H2,(H,16,18)
InChIKeyMSWXVFSARFBQAB-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.69
Rot. Bonds5

About 5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine

5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 167846442) has the molecular formula C14H11N7O2S and a molecular weight of 341.36 g/mol. Its IUPAC name is 5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID167846442
Molecular FormulaC14H11N7O2S
Molecular Weight341.36 g/mol
Exact Mass341.07
IUPAC Name5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(Nc2ccn(Cc3ccccn3)n2)nc2sccn12
InChIInChI=1S/C14H11N7O2S/c22-21(23)13-12(17-14-20(13)7-8-24-14)16-11-4-6-19(18-11)9-10-3-1-2-5-15-10/h1-8H,9H2,(H,16,18)
InChIKeyMSWXVFSARFBQAB-UHFFFAOYSA-N
XLogP2.69
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine (CID 167846442) is 5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(Nc2ccn(Cc3ccccn3)n2)nc2sccn12.
What is the InChIKey of 5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is MSWXVFSARFBQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O2S/c22-21(23)13-12(17-14-20(13)7-8-24-14)16-11-4-6-19(18-11)9-10-3-1-2-5-15-10/h1-8H,9H2,(H,16,18).
What are the key properties of 5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 341.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 167846442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).