2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide

C15H22N6O3S — CID 55680997

IUPAC2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H22N6O3S/c1-2-5-16-12(22)10-19-6-3-11(4-7-19)17-13-14(21(23)24)20-8-9-25-15(20)18-13/h8-9,11,17H,2-7,10H2,1H3,(H,16,22)
InChIKeyGLIRLKQNOHGSRG-UHFFFAOYSA-N
MW366.45 g/mol
LogP1.71
Rot. Bonds7

About 2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide

2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide (PubChem CID 55680997) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide
PubChem CID55680997
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H22N6O3S/c1-2-5-16-12(22)10-19-6-3-11(4-7-19)17-13-14(21(23)24)20-8-9-25-15(20)18-13/h8-9,11,17H,2-7,10H2,1H3,(H,16,22)
InChIKeyGLIRLKQNOHGSRG-UHFFFAOYSA-N
XLogP1.71
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
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 2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide (CID 55680997) is 2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1.
What is the InChIKey of 2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide?
The InChIKey is GLIRLKQNOHGSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-2-5-16-12(22)10-19-6-3-11(4-7-19)17-13-14(21(23)24)20-8-9-25-15(20)18-13/h8-9,11,17H,2-7,10H2,1H3,(H,16,22).
What are the key properties of 2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide?
2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide has a molecular weight of 366.45 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55680997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).