N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C17H17N3O2S — CID 4595895

IUPACN-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2ccc3ccccc3c2)S1
InChIInChI=1S/C17H17N3O2S/c1-11(21)18-16-19-20(12(2)22)17(3,23-16)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,1-3H3,(H,18,19,21)
InChIKeyAQJBMHNMOCLGJS-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.01
Rot. Bonds1

About N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 4595895) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID4595895
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2ccc3ccccc3c2)S1
InChIInChI=1S/C17H17N3O2S/c1-11(21)18-16-19-20(12(2)22)17(3,23-16)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,1-3H3,(H,18,19,21)
InChIKeyAQJBMHNMOCLGJS-UHFFFAOYSA-N
XLogP3.01
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 4595895) is N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)NC1=NN(C(C)=O)C(C)(c2ccc3ccccc3c2)S1.
What is the InChIKey of N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is AQJBMHNMOCLGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11(21)18-16-19-20(12(2)22)17(3,23-16)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,1-3H3,(H,18,19,21).
What are the key properties of N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5-methyl-5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 4595895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).