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

C12H14N4O2S — CID 3149846

IUPACN-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2ccccn2)S1
InChIInChI=1S/C12H14N4O2S/c1-8(17)14-11-15-16(9(2)18)12(3,19-11)10-6-4-5-7-13-10/h4-7H,1-3H3,(H,14,15,17)
InChIKeyJALMEGPCCCJTTG-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.26
Rot. Bonds1

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

N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3149846) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3149846
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(C)(c2ccccn2)S1
InChIInChI=1S/C12H14N4O2S/c1-8(17)14-11-15-16(9(2)18)12(3,19-11)10-6-4-5-7-13-10/h4-7H,1-3H3,(H,14,15,17)
InChIKeyJALMEGPCCCJTTG-UHFFFAOYSA-N
XLogP1.26
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 3149846) is N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)NC1=NN(C(C)=O)C(C)(c2ccccn2)S1.
What is the InChIKey of N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JALMEGPCCCJTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8(17)14-11-15-16(9(2)18)12(3,19-11)10-6-4-5-7-13-10/h4-7H,1-3H3,(H,14,15,17).
What are the key properties of N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 278.34 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3149846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).