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

C16H14N4OS — CID 6464896

IUPAC2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C16H14N4OS/c1-11-2-4-12(5-3-11)10-14(21)18-16-20-19-15(22-16)13-6-8-17-9-7-13/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeyDRZOWODEUSWSTP-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.09
Rot. Bonds4

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

2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6464896) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6464896
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3ccncc3)s2)cc1
InChIInChI=1S/C16H14N4OS/c1-11-2-4-12(5-3-11)10-14(21)18-16-20-19-15(22-16)13-6-8-17-9-7-13/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeyDRZOWODEUSWSTP-UHFFFAOYSA-N
XLogP3.09
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 6464896) is 2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc(CC(=O)Nc2nnc(-c3ccncc3)s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DRZOWODEUSWSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-11-2-4-12(5-3-11)10-14(21)18-16-20-19-15(22-16)13-6-8-17-9-7-13/h2-9H,10H2,1H3,(H,18,20,21).
What are the key properties of 2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6464896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).