3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole

C13H9N11S — CID 141021041

IUPAC3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole
SMILESc1c[nH]c(-n2nnc(-c3cn[nH]n3)c2-n2nncc2-c2ccsn2)c1
InChIInChI=1S/C13H9N11S/c1-2-11(14-4-1)24-13(12(18-22-24)9-6-15-20-17-9)23-10(7-16-21-23)8-3-5-25-19-8/h1-7,14H,(H,15,17,20)
InChIKeyNIIOUCDRAXBVGW-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.08
Rot. Bonds4

About 3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole

3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole (PubChem CID 141021041) has the molecular formula C13H9N11S and a molecular weight of 351.36 g/mol. Its IUPAC name is 3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole.

Molecular Properties

Compound Name3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole
PubChem CID141021041
Molecular FormulaC13H9N11S
Molecular Weight351.36 g/mol
Exact Mass351.08
IUPAC Name3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole
SMILESc1c[nH]c(-n2nnc(-c3cn[nH]n3)c2-n2nncc2-c2ccsn2)c1
InChIInChI=1S/C13H9N11S/c1-2-11(14-4-1)24-13(12(18-22-24)9-6-15-20-17-9)23-10(7-16-21-23)8-3-5-25-19-8/h1-7,14H,(H,15,17,20)
InChIKeyNIIOUCDRAXBVGW-UHFFFAOYSA-N
XLogP1.08
TPSA131.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole 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

4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole
CID 141042259
1-(1H-imidazol-2-yl)-1,4-bis(1H-pyrazol-5-yl)-2,5-bis(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-3H-thiadiazole
CID 141294157
2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole
CID 141303191
5-[5-deuterio-4-[5-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)imidazol-1-yl]triazol-1-yl]-2H-tetrazole
CID 173641400

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole?
The IUPAC name of 3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole (CID 141021041) is 3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole.
What is the SMILES notation for 3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole?
The canonical SMILES for 3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole is c1c[nH]c(-n2nnc(-c3cn[nH]n3)c2-n2nncc2-c2ccsn2)c1.
What is the InChIKey of 3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole?
The InChIKey is NIIOUCDRAXBVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N11S/c1-2-11(14-4-1)24-13(12(18-22-24)9-6-15-20-17-9)23-10(7-16-21-23)8-3-5-25-19-8/h1-7,14H,(H,15,17,20).
What are the key properties of 3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole?
3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole has a molecular weight of 351.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole is sourced from PubChem (CID 141021041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).