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

C10H11N7O2S — CID 64532035

IUPAC5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCCc2ncn[nH]2)nc2sccn12
InChIInChI=1S/C10H11N7O2S/c18-17(19)9-8(14-10-16(9)4-5-20-10)11-3-1-2-7-12-6-13-15-7/h4-6,11H,1-3H2,(H,12,13,15)
InChIKeyYOIUZMOLZJNDLS-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.47
Rot. Bonds6

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

5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 64532035) has the molecular formula C10H11N7O2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID64532035
Molecular FormulaC10H11N7O2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCCc2ncn[nH]2)nc2sccn12
InChIInChI=1S/C10H11N7O2S/c18-17(19)9-8(14-10-16(9)4-5-20-10)11-3-1-2-7-12-6-13-15-7/h4-6,11H,1-3H2,(H,12,13,15)
InChIKeyYOIUZMOLZJNDLS-UHFFFAOYSA-N
XLogP1.47
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103757363
N-(3-methylsulfonylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 47292439
N-(3-methylsulfanylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 63965950
N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60701927
N-(4-methylsulfanylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 113238843
5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 63831888
5-nitro-N-(2-piperazin-1-ylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43600445
5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 25330104
2-[3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propyl]cyclohexan-1-ol
CID 133384953
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
N-tert-butyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 115609150
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 115578507

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine (CID 64532035) is 5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCCCc2ncn[nH]2)nc2sccn12.
What is the InChIKey of 5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is YOIUZMOLZJNDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2S/c18-17(19)9-8(14-10-16(9)4-5-20-10)11-3-1-2-7-12-6-13-15-7/h4-6,11H,1-3H2,(H,12,13,15).
What are the key properties of 5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 293.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 64532035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).