2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C16H16N4OS2 — CID 2161237

IUPAC2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)15-13(22-10(2)17-15)8-14(21)18-16-20-19-11(3)23-16/h4-7H,8H2,1-3H3,(H,18,20,21)
InChIKeyMZHKKOYPAAKMPA-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.77
Rot. Bonds4

About 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2161237) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2161237
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)15-13(22-10(2)17-15)8-14(21)18-16-20-19-11(3)23-16/h4-7H,8H2,1-3H3,(H,18,20,21)
InChIKeyMZHKKOYPAAKMPA-UHFFFAOYSA-N
XLogP3.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2161237) is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc(-c2nc(C)sc2CC(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is MZHKKOYPAAKMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-9-4-6-12(7-5-9)15-13(22-10(2)17-15)8-14(21)18-16-20-19-11(3)23-16/h4-7H,8H2,1-3H3,(H,18,20,21).
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 344.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2161237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).