2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole

C18H12N12S — CID 141121738

IUPAC2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole
SMILESc1c[nH]c(-c2nc(-c3nn[nH]n3)c(-c3cn[nH]n3)c(-c3ncc[nH]3)c2-c2nccs2)c1
InChIInChI=1S/C18H12N12S/c1-2-9(19-3-1)14-13(18-22-6-7-31-18)12(16-20-4-5-21-16)11(10-8-23-28-25-10)15(24-14)17-26-29-30-27-17/h1-8,19H,(H,20,21)(H,23,25,28)(H,26,27,29,30)
InChIKeyVZNLXCRMECDROD-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.56
Rot. Bonds5

About 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole

2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole (PubChem CID 141121738) has the molecular formula C18H12N12S and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole
PubChem CID141121738
Molecular FormulaC18H12N12S
Molecular Weight428.45 g/mol
Exact Mass428.10
IUPAC Name2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole
SMILESc1c[nH]c(-c2nc(-c3nn[nH]n3)c(-c3cn[nH]n3)c(-c3ncc[nH]3)c2-c2nccs2)c1
InChIInChI=1S/C18H12N12S/c1-2-9(19-3-1)14-13(18-22-6-7-31-18)12(16-20-4-5-21-16)11(10-8-23-28-25-10)15(24-14)17-26-29-30-27-17/h1-8,19H,(H,20,21)(H,23,25,28)(H,26,27,29,30)
InChIKeyVZNLXCRMECDROD-UHFFFAOYSA-N
XLogP2.56
TPSA166.28 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole (CID 141121738) is 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole is c1c[nH]c(-c2nc(-c3nn[nH]n3)c(-c3cn[nH]n3)c(-c3ncc[nH]3)c2-c2nccs2)c1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole?
The InChIKey is VZNLXCRMECDROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N12S/c1-2-9(19-3-1)14-13(18-22-6-7-31-18)12(16-20-4-5-21-16)11(10-8-23-28-25-10)15(24-14)17-26-29-30-27-17/h1-8,19H,(H,20,21)(H,23,25,28)(H,26,27,29,30).
What are the key properties of 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole?
2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole has a molecular weight of 428.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)-2-(1H-pyrrol-2-yl)-6-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 141121738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).