N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

C24H24FN5OS2 — CID 31988524

IUPACN-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(CSc2nnc(-c3ccc(F)cc3)n2C)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H24FN5OS2/c1-14-10-15(2)21(16(3)11-14)30(17(4)31)23-26-20(12-32-23)13-33-24-28-27-22(29(24)5)18-6-8-19(25)9-7-18/h6-12H,13H2,1-5H3
InChIKeyQDPGZTYSHNBSLD-UHFFFAOYSA-N
MW481.62 g/mol
LogP5.98
Rot. Bonds6

About N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 31988524) has the molecular formula C24H24FN5OS2 and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID31988524
Molecular FormulaC24H24FN5OS2
Molecular Weight481.62 g/mol
Exact Mass481.14
IUPAC NameN-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(CSc2nnc(-c3ccc(F)cc3)n2C)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H24FN5OS2/c1-14-10-15(2)21(16(3)11-14)30(17(4)31)23-26-20(12-32-23)13-33-24-28-27-22(29(24)5)18-6-8-19(25)9-7-18/h6-12H,13H2,1-5H3
InChIKeyQDPGZTYSHNBSLD-UHFFFAOYSA-N
XLogP5.98
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 31988524) is N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is CC(=O)N(c1nc(CSc2nnc(-c3ccc(F)cc3)n2C)cs1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is QDPGZTYSHNBSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5OS2/c1-14-10-15(2)21(16(3)11-14)30(17(4)31)23-26-20(12-32-23)13-33-24-28-27-22(29(24)5)18-6-8-19(25)9-7-18/h6-12H,13H2,1-5H3.
What are the key properties of N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 481.62 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 31988524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).