5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

C26H25N7O2S — CID 11698971

IUPAC5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NCc2ccc(-n3ccnc3)cc2)c2sc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C26H25N7O2S/c1-26(2,3)33-22-21(36-25(29-22)30-23(34)18-7-5-4-6-8-18)20(31-33)24(35)28-15-17-9-11-19(12-10-17)32-14-13-27-16-32/h4-14,16H,15H2,1-3H3,(H,28,35)(H,29,30,34)
InChIKeyMAPONYLLQDJBJX-UHFFFAOYSA-N
MW499.60 g/mol
LogP4.62
Rot. Bonds6

About 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (PubChem CID 11698971) has the molecular formula C26H25N7O2S and a molecular weight of 499.60 g/mol. Its IUPAC name is 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
PubChem CID11698971
Molecular FormulaC26H25N7O2S
Molecular Weight499.60 g/mol
Exact Mass499.18
IUPAC Name5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NCc2ccc(-n3ccnc3)cc2)c2sc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C26H25N7O2S/c1-26(2,3)33-22-21(36-25(29-22)30-23(34)18-7-5-4-6-8-18)20(31-33)24(35)28-15-17-9-11-19(12-10-17)32-14-13-27-16-32/h4-14,16H,15H2,1-3H3,(H,28,35)(H,29,30,34)
InChIKeyMAPONYLLQDJBJX-UHFFFAOYSA-N
XLogP4.62
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide 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 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (CID 11698971) is 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is CC(C)(C)n1nc(C(=O)NCc2ccc(-n3ccnc3)cc2)c2sc(NC(=O)c3ccccc3)nc21.
What is the InChIKey of 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is MAPONYLLQDJBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2S/c1-26(2,3)33-22-21(36-25(29-22)30-23(34)18-7-5-4-6-8-18)20(31-33)24(35)28-15-17-9-11-19(12-10-17)32-14-13-27-16-32/h4-14,16H,15H2,1-3H3,(H,28,35)(H,29,30,34).
What are the key properties of 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 499.60 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 11698971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).