5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol

C24H24N6OS — CID 135637006

IUPAC5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(-c3ccccc3)cs2)=C(O)CN1CCCCCc1nnc2ccccn12
InChIInChI=1S/C24H24N6OS/c25-23-22(24-26-18(16-32-24)17-9-3-1-4-10-17)19(31)15-29(23)13-7-2-5-11-20-27-28-21-12-6-8-14-30(20)21/h1,3-4,6,8-10,12,14,16,25,31H,2,5,7,11,13,15H2/b25-23-
InChIKeyKKQCGKMOVKWZEP-BZZOAKBMSA-N
MW444.56 g/mol
LogP4.83
Rot. Bonds8

About 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol

5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol (PubChem CID 135637006) has the molecular formula C24H24N6OS and a molecular weight of 444.56 g/mol. Its IUPAC name is 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol
PubChem CID135637006
Molecular FormulaC24H24N6OS
Molecular Weight444.56 g/mol
Exact Mass444.17
IUPAC Name5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(-c3ccccc3)cs2)=C(O)CN1CCCCCc1nnc2ccccn12
InChIInChI=1S/C24H24N6OS/c25-23-22(24-26-18(16-32-24)17-9-3-1-4-10-17)19(31)15-29(23)13-7-2-5-11-20-27-28-21-12-6-8-14-30(20)21/h1,3-4,6,8-10,12,14,16,25,31H,2,5,7,11,13,15H2/b25-23-
InChIKeyKKQCGKMOVKWZEP-BZZOAKBMSA-N
XLogP4.83
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol 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-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-imino-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2H-pyrrol-3-ol
CID 135636924
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-imino-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2H-pyrrol-3-ol
CID 135637000
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
CID 135653329
5-imino-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyethyl)-2H-pyrrol-3-ol
CID 136652465
5-imino-4-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)-2H-pyrrol-3-ol
CID 136652447
1-benzyl-4-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-5-imino-2H-pyrrol-3-ol
CID 135869074
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
CID 136731550
ethyl 4-[[3-hydroxy-5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-1-yl]methyl]benzoate
CID 136724927
5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-3-ol
CID 135652966
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-imino-1-(2-morpholin-4-ylethyl)-2H-pyrrol-3-ol
CID 135653047
1-(2-chlorophenyl)-5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
CID 135653373
1-(4-fluorophenyl)-5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
CID 136652466

Frequently Asked Questions

What is the IUPAC name of 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol (CID 135637006) is 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(-c3ccccc3)cs2)=C(O)CN1CCCCCc1nnc2ccccn12.
What is the InChIKey of 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol?
The InChIKey is KKQCGKMOVKWZEP-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H24N6OS/c25-23-22(24-26-18(16-32-24)17-9-3-1-4-10-17)19(31)15-29(23)13-7-2-5-11-20-27-28-21-12-6-8-14-30(20)21/h1,3-4,6,8-10,12,14,16,25,31H,2,5,7,11,13,15H2/b25-23-.
What are the key properties of 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol?
5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol has a molecular weight of 444.56 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2H-pyrrol-3-ol is sourced from PubChem (CID 135637006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).