2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine

C11H13N7O2S2 — CID 133344909

IUPAC2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine
SMILESCCn1c(CCN)nnc1Sc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H13N7O2S2/c1-2-16-7(3-4-12)14-15-11(16)22-8-9(18(19)20)17-5-6-21-10(17)13-8/h5-6H,2-4,12H2,1H3
InChIKeyNDQJZBAWLHDEFK-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.57
Rot. Bonds6

About 2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine

2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 133344909) has the molecular formula C11H13N7O2S2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID133344909
Molecular FormulaC11H13N7O2S2
Molecular Weight339.41 g/mol
Exact Mass339.06
IUPAC Name2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine
SMILESCCn1c(CCN)nnc1Sc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H13N7O2S2/c1-2-16-7(3-4-12)14-15-11(16)22-8-9(18(19)20)17-5-6-21-10(17)13-8/h5-6H,2-4,12H2,1H3
InChIKeyNDQJZBAWLHDEFK-UHFFFAOYSA-N
XLogP1.57
TPSA117.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
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'}

Analyze 2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095379
2-[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)imidazol-2-yl]ethanamine
CID 55071962
6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 1482508
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
CID 3741324
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol
CID 54911188
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
CID 115659063
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylbutanoic acid
CID 105354795
2-[4-ethyl-5-(3-methyl-4-nitrophenyl)sulfanyl-1,2,4-triazol-3-yl]ethanamine
CID 86781939
6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095068
N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide
CID 18095387
6-[1-(2,6-difluorophenyl)ethylsulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 71885541
ethyl 2-cyano-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)acetate
CID 104571347

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine (CID 133344909) is 2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine is CCn1c(CCN)nnc1Sc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is NDQJZBAWLHDEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O2S2/c1-2-16-7(3-4-12)14-15-11(16)22-8-9(18(19)20)17-5-6-21-10(17)13-8/h5-6H,2-4,12H2,1H3.
What are the key properties of 2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine?
2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 339.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 133344909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).