N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C20H21N7OS2 — CID 53299902

IUPACN-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)sc1-c1nc(N)sc1-n1cc(-c2ccccc2)nn1
InChIInChI=1S/C20H21N7OS2/c1-11-15(29-19(22-11)24-17(28)20(2,3)4)14-16(30-18(21)23-14)27-10-13(25-26-27)12-8-6-5-7-9-12/h5-10H,1-4H3,(H2,21,23)(H,22,24,28)
InChIKeyHJMLDXPMHUUCSL-UHFFFAOYSA-N
MW439.57 g/mol
LogP4.39
Rot. Bonds4

About N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 53299902) has the molecular formula C20H21N7OS2 and a molecular weight of 439.57 g/mol. Its IUPAC name is N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID53299902
Molecular FormulaC20H21N7OS2
Molecular Weight439.57 g/mol
Exact Mass439.12
IUPAC NameN-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)sc1-c1nc(N)sc1-n1cc(-c2ccccc2)nn1
InChIInChI=1S/C20H21N7OS2/c1-11-15(29-19(22-11)24-17(28)20(2,3)4)14-16(30-18(21)23-14)27-10-13(25-26-27)12-8-6-5-7-9-12/h5-10H,1-4H3,(H2,21,23)(H,22,24,28)
InChIKeyHJMLDXPMHUUCSL-UHFFFAOYSA-N
XLogP4.39
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.57
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-benzyl-2-(4-benzyl-1H-1,2,3-triazol-1-yl)-4-methylthiazole-5-carboxamide
CID 24957857
3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 58532021
N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 70686829
(2S)-1-N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 70686830
(2S)-N-[5-(3-methylimidazol-4-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 71453407
2-[4-(4-fluorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155510898
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
CID 155518619
2-[4-(3-aminophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155552622
2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155569390
2-((5-((1-methyl-1H-pyrrol-2-yl)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 5308682
2-((5-((1-methyl-1H-pyrrol-2-yl)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide
CID 5309920
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-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 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) is N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is Cc1nc(NC(=O)C(C)(C)C)sc1-c1nc(N)sc1-n1cc(-c2ccccc2)nn1.
What is the InChIKey of N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is HJMLDXPMHUUCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS2/c1-11-15(29-19(22-11)24-17(28)20(2,3)4)14-16(30-18(21)23-14)27-10-13(25-26-27)12-8-6-5-7-9-12/h5-10H,1-4H3,(H2,21,23)(H,22,24,28).
What are the key properties of N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 439.57 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 53299902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).