2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide

C24H24FN5OS3 — CID 2239643

IUPAC2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCCn1c(CSCc2ccccc2F)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C24H24FN5OS3/c1-3-30-20(14-32-13-18-11-7-8-12-19(18)25)28-29-24(30)33-15-21(31)26-23-27-22(16(2)34-23)17-9-5-4-6-10-17/h4-12H,3,13-15H2,1-2H3,(H,26,27,31)
InChIKeyRGBGLUIRYYOSAR-UHFFFAOYSA-N
MW513.69 g/mol
LogP6.03
Rot. Bonds10

About 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide

2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2239643) has the molecular formula C24H24FN5OS3 and a molecular weight of 513.69 g/mol. Its IUPAC name is 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2239643
Molecular FormulaC24H24FN5OS3
Molecular Weight513.69 g/mol
Exact Mass513.11
IUPAC Name2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCCn1c(CSCc2ccccc2F)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C24H24FN5OS3/c1-3-30-20(14-32-13-18-11-7-8-12-19(18)25)28-29-24(30)33-15-21(31)26-23-27-22(16(2)34-23)17-9-5-4-6-10-17/h4-12H,3,13-15H2,1-2H3,(H,26,27,31)
InChIKeyRGBGLUIRYYOSAR-UHFFFAOYSA-N
XLogP6.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

N-[[4-ethyl-5-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 126156400
N-[[4-ethyl-5-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 126174325
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3256513
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1316367
N-[[4-ethyl-5-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 126160041
2-[[4-ethyl-5-[(4-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 126366875
2-[[5-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 126347650
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6495834
4-fluoro-N-[2-[5-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 2980089
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 21378147
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333647
N-[[5-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 126364459

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2239643) is 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is CCn1c(CSCc2ccccc2F)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1.
What is the InChIKey of 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RGBGLUIRYYOSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5OS3/c1-3-30-20(14-32-13-18-11-7-8-12-19(18)25)28-29-24(30)33-15-21(31)26-23-27-22(16(2)34-23)17-9-5-4-6-10-17/h4-12H,3,13-15H2,1-2H3,(H,26,27,31).
What are the key properties of 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 513.69 g/mol, XLogP of 6.03, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2239643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).