5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine

C12H9N5S — CID 82482232

IUPAC5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
SMILESNc1nnc2scc(-c3c[nH]c4ccccc34)n12
InChIInChI=1S/C12H9N5S/c13-11-15-16-12-17(11)10(6-18-12)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,(H2,13,15)
InChIKeyUVKVEXJBNDUUOR-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.52
Rot. Bonds1

About 5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine

5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine (PubChem CID 82482232) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
PubChem CID82482232
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
SMILESNc1nnc2scc(-c3c[nH]c4ccccc34)n12
InChIInChI=1S/C12H9N5S/c13-11-15-16-12-17(11)10(6-18-12)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,(H2,13,15)
InChIKeyUVKVEXJBNDUUOR-UHFFFAOYSA-N
XLogP2.52
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole
CID 3740438
4-(1H-indol-3-yl)thiophen-2-amine
CID 82393986
2-(1H-indol-3-yl)aniline
CID 25210227
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
2-(1H-indol-3-yl)-1,3-thiazole-4-thiol
CID 116889652
3-pyridin-4-yl-1H-indole
CID 159430533
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine
CID 87800834
5-(1H-indol-3-yl)thiophene-3-carboxylic acid
CID 82478024
5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazole-3-thiolate
CID 4963878
methane;3-phenyl-1H-indole
CID 167711687

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The IUPAC name of 5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine (CID 82482232) is 5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine.
What is the SMILES notation for 5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The canonical SMILES for 5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine is Nc1nnc2scc(-c3c[nH]c4ccccc34)n12.
What is the InChIKey of 5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The InChIKey is UVKVEXJBNDUUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c13-11-15-16-12-17(11)10(6-18-12)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,(H2,13,15).
What are the key properties of 5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine has a molecular weight of 255.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine is sourced from PubChem (CID 82482232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).