N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide

C23H31N5OS — CID 46942741

IUPACN-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
SMILESCC(C)CC(N)c1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1
InChIInChI=1S/C23H31N5OS/c1-15(2)11-17(24)18-14-30-22(25-18)26-21(29)19-12-20(23(3,4)5)27-28(19)13-16-9-7-6-8-10-16/h6-10,12,14-15,17H,11,13,24H2,1-5H3,(H,25,26,29)
InChIKeyZITBWMCZNALKCN-UHFFFAOYSA-N
MW425.60 g/mol
LogP4.98
Rot. Bonds7

About N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide

N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide (PubChem CID 46942741) has the molecular formula C23H31N5OS and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
PubChem CID46942741
Molecular FormulaC23H31N5OS
Molecular Weight425.60 g/mol
Exact Mass425.22
IUPAC NameN-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
SMILESCC(C)CC(N)c1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1
InChIInChI=1S/C23H31N5OS/c1-15(2)11-17(24)18-14-30-22(25-18)26-21(29)19-12-20(23(3,4)5)27-28(19)13-16-9-7-6-8-10-16/h6-10,12,14-15,17H,11,13,24H2,1-5H3,(H,25,26,29)
InChIKeyZITBWMCZNALKCN-UHFFFAOYSA-N
XLogP4.98
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide 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

3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1223459
N-{4'-methyl-2-[(2-phenylethyl)amino]-4,5'-bi-1,3-thiazol-2'-yl}benzamide
CID 1300179
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2439795
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
N,1-dibenzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-3-carboxamide
CID 46221409
N-[4-(aminomethyl)thiazol-2-yl]-2-benzyl-5-tert-butyl-pyrazole-3-carboxamide
CID 56643478
1-benzyl-3-tert-butyl-N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649051
1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649052
5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 71580328
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 155530174
2-[(1-methyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968116

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide (CID 46942741) is N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide is CC(C)CC(N)c1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1.
What is the InChIKey of N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The InChIKey is ZITBWMCZNALKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5OS/c1-15(2)11-17(24)18-14-30-22(25-18)26-21(29)19-12-20(23(3,4)5)27-28(19)13-16-9-7-6-8-10-16/h6-10,12,14-15,17H,11,13,24H2,1-5H3,(H,25,26,29).
What are the key properties of N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide has a molecular weight of 425.60 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide is sourced from PubChem (CID 46942741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).