[5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine

C11H9N5O2S — CID 82105489

IUPAC[5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine
SMILESNCc1nnc2scc(-c3cccc([N+](=O)[O-])c3)n12
InChIInChI=1S/C11H9N5O2S/c12-5-10-13-14-11-15(10)9(6-19-11)7-2-1-3-8(4-7)16(17)18/h1-4,6H,5,12H2
InChIKeyMMOIFKOMCKHPFX-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.82
Rot. Bonds3

About [5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine

[5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine (PubChem CID 82105489) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is [5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine
PubChem CID82105489
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name[5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine
SMILESNCc1nnc2scc(-c3cccc([N+](=O)[O-])c3)n12
InChIInChI=1S/C11H9N5O2S/c12-5-10-13-14-11-15(10)9(6-19-11)7-2-1-3-8(4-7)16(17)18/h1-4,6H,5,12H2
InChIKeyMMOIFKOMCKHPFX-UHFFFAOYSA-N
XLogP1.82
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine 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

3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035378
6-(3-methoxyphenyl)-3-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198698
3-(3-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 28692934
2-[3-(3-nitrophenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]isoindole-1,3-dione
CID 23965363
ethyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate
CID 10423662
2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7205900
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
2-(3-nitrophenyl)-4-propyl-1,3-thiazole
CID 113239665
[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324976
[5-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199238
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide
CID 10041509

Frequently Asked Questions

What is the IUPAC name of [5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine?
The IUPAC name of [5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine (CID 82105489) is [5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine.
What is the SMILES notation for [5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine?
The canonical SMILES for [5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine is NCc1nnc2scc(-c3cccc([N+](=O)[O-])c3)n12.
What is the InChIKey of [5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine?
The InChIKey is MMOIFKOMCKHPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c12-5-10-13-14-11-15(10)9(6-19-11)7-2-1-3-8(4-7)16(17)18/h1-4,6H,5,12H2.
What are the key properties of [5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine?
[5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine has a molecular weight of 275.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine is sourced from PubChem (CID 82105489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).