N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide

C22H21FN4OS — CID 7287105

IUPACN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)c1
InChIInChI=1S/C22H21FN4OS/c1-14-4-3-5-16(12-14)13-20(28)24-11-10-19-15(2)27-22(29-19)25-21(26-27)17-6-8-18(23)9-7-17/h3-9,12H,10-11,13H2,1-2H3,(H,24,28)
InChIKeySOEOSQQHVHJCGO-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.12
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide

N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 7287105) has the molecular formula C22H21FN4OS and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide
PubChem CID7287105
Molecular FormulaC22H21FN4OS
Molecular Weight408.50 g/mol
Exact Mass408.14
IUPAC NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)c1
InChIInChI=1S/C22H21FN4OS/c1-14-4-3-5-16(12-14)13-20(28)24-11-10-19-15(2)27-22(29-19)25-21(26-27)17-6-8-18(23)9-7-17/h3-9,12H,10-11,13H2,1-2H3,(H,24,28)
InChIKeySOEOSQQHVHJCGO-UHFFFAOYSA-N
XLogP4.12
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide (CID 7287105) is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)c1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is SOEOSQQHVHJCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4OS/c1-14-4-3-5-16(12-14)13-20(28)24-11-10-19-15(2)27-22(29-19)25-21(26-27)17-6-8-18(23)9-7-17/h3-9,12H,10-11,13H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide?
N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 7287105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).