5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole

C17H16N6O2S3 — CID 24606974

IUPAC5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)nc2sccn12
InChIInChI=1S/C17H16N6O2S3/c24-23(25)16-14(19-17-22(16)6-8-27-17)21-4-2-20(3-5-21)9-13-11-28-15(18-13)12-1-7-26-10-12/h1,6-8,10-11H,2-5,9H2
InChIKeyFZPMHLIDWMFTTQ-UHFFFAOYSA-N
MW432.56 g/mol
LogP3.81
Rot. Bonds5

About 5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole

5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 24606974) has the molecular formula C17H16N6O2S3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID24606974
Molecular FormulaC17H16N6O2S3
Molecular Weight432.56 g/mol
Exact Mass432.05
IUPAC Name5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)nc2sccn12
InChIInChI=1S/C17H16N6O2S3/c24-23(25)16-14(19-17-22(16)6-8-27-17)21-4-2-20(3-5-21)9-13-11-28-15(18-13)12-1-7-26-10-12/h1,6-8,10-11H,2-5,9H2
InChIKeyFZPMHLIDWMFTTQ-UHFFFAOYSA-N
XLogP3.81
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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Related Compounds

2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
6-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 133276329
2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide
CID 31257866
4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 24606979
4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-ol
CID 80702476
4-[[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 24656779
4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 6456473
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 80703386
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 30412348
1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxamide
CID 40724852
7-[[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60563539
4-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidine-4-carboxylic acid
CID 63124084

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole (CID 24606974) is 5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)nc2sccn12.
What is the InChIKey of 5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is FZPMHLIDWMFTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S3/c24-23(25)16-14(19-17-22(16)6-8-27-17)21-4-2-20(3-5-21)9-13-11-28-15(18-13)12-1-7-26-10-12/h1,6-8,10-11H,2-5,9H2.
What are the key properties of 5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole?
5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 432.56 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 24606974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).