N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C23H29N5O2S — CID 53299907

IUPACN-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)sc1C(=O)Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C23H29N5O2S/c1-14-19(31-21(24-14)25-20(30)23(5,6)7)18(29)13-28-12-17(26-27-28)15-8-10-16(11-9-15)22(2,3)4/h8-12H,13H2,1-7H3,(H,24,25,30)
InChIKeySGMGWIPFOWWAQT-UHFFFAOYSA-N
MW439.59 g/mol
LogP4.88
Rot. Bonds5

About N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 53299907) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID53299907
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC NameN-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)sc1C(=O)Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C23H29N5O2S/c1-14-19(31-21(24-14)25-20(30)23(5,6)7)18(29)13-28-12-17(26-27-28)15-8-10-16(11-9-15)22(2,3)4/h8-12H,13H2,1-7H3,(H,24,25,30)
InChIKeySGMGWIPFOWWAQT-UHFFFAOYSA-N
XLogP4.88
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide 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

1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-nitropyrazole-3-carboxamide
CID 998685
1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-nitropyrazole-3-carboxamide
CID 999259
N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 999515
N-benzyl-2-(4-benzyl-1H-1,2,3-triazol-1-yl)-4-methylthiazole-5-carboxamide
CID 24957857
4-methyl-2-(2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481307
2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155510898
Ethyl 2-[[2-[4-(4-fluorophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155524604
2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155552622
Ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155567046
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 5141935
N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 53299902
N-[5-[2-(ethylamino)-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 53299903

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 53299907) is N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is Cc1nc(NC(=O)C(C)(C)C)sc1C(=O)Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is SGMGWIPFOWWAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-14-19(31-21(24-14)25-20(30)23(5,6)7)18(29)13-28-12-17(26-27-28)15-8-10-16(11-9-15)22(2,3)4/h8-12H,13H2,1-7H3,(H,24,25,30).
What are the key properties of N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 439.59 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 53299907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).