N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide

C17H24N6O3S — CID 133287726

IUPACN-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1
InChIInChI=1S/C17H24N6O3S/c1-12(15(24)18-13-4-2-3-5-13)20-6-8-21(9-7-20)14-16(23(25)26)22-10-11-27-17(22)19-14/h10-13H,2-9H2,1H3,(H,18,24)
InChIKeyXOJLXNWYHURZJH-UHFFFAOYSA-N
MW392.49 g/mol
LogP1.87
Rot. Bonds5

About N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide (PubChem CID 133287726) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide
PubChem CID133287726
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC NameN-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1
InChIInChI=1S/C17H24N6O3S/c1-12(15(24)18-13-4-2-3-5-13)20-6-8-21(9-7-20)14-16(23(25)26)22-10-11-27-17(22)19-14/h10-13H,2-9H2,1H3,(H,18,24)
InChIKeyXOJLXNWYHURZJH-UHFFFAOYSA-N
XLogP1.87
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 51.87
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 N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide (CID 133287726) is N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide is CC(C(=O)NC1CCCC1)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1.
What is the InChIKey of N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide?
The InChIKey is XOJLXNWYHURZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-12(15(24)18-13-4-2-3-5-13)20-6-8-21(9-7-20)14-16(23(25)26)22-10-11-27-17(22)19-14/h10-13H,2-9H2,1H3,(H,18,24).
What are the key properties of N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide has a molecular weight of 392.49 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 133287726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).