2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide

C20H25N5OS — CID 97059729

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide
SMILESCCc1nc(CC(=O)N[C@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)cs1
InChIInChI=1S/C20H25N5OS/c1-4-17(24-18(26)10-16-11-27-19(5-2)23-16)20(25-13-21-12-22-25)15-8-6-14(3)7-9-15/h6-9,11-13,17,20H,4-5,10H2,1-3H3,(H,24,26)/t17-,20+/m1/s1
InChIKeyZYKKXVFNDIFONZ-XLIONFOSSA-N
MW383.52 g/mol
LogP3.33
Rot. Bonds8

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide (PubChem CID 97059729) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide
PubChem CID97059729
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide
SMILESCCc1nc(CC(=O)N[C@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)cs1
InChIInChI=1S/C20H25N5OS/c1-4-17(24-18(26)10-16-11-27-19(5-2)23-16)20(25-13-21-12-22-25)15-8-6-14(3)7-9-15/h6-9,11-13,17,20H,4-5,10H2,1-3H3,(H,24,26)/t17-,20+/m1/s1
InChIKeyZYKKXVFNDIFONZ-XLIONFOSSA-N
XLogP3.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide with MolForge

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Related Compounds

1-[[1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122007924
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224070
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18100503
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 25350399
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119526028
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 94214954
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25490801
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 119606699
2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 46266194
2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide
CID 86832332

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide (CID 97059729) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide is CCc1nc(CC(=O)N[C@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide?
The InChIKey is ZYKKXVFNDIFONZ-XLIONFOSSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-4-17(24-18(26)10-16-11-27-19(5-2)23-16)20(25-13-21-12-22-25)15-8-6-14(3)7-9-15/h6-9,11-13,17,20H,4-5,10H2,1-3H3,(H,24,26)/t17-,20+/m1/s1.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide has a molecular weight of 383.52 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,2R)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 97059729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).