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

C15H12N4O2S — CID 70887708

IUPAC2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H12N4O2S/c20-12-3-1-10(2-4-12)9-13(21)17-15-19-18-14(22-15)11-5-7-16-8-6-11/h1-8,20H,9H2,(H,17,19,21)
InChIKeyZYAIWCZCHIZDDC-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.49
Rot. Bonds4

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

2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 70887708) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID70887708
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H12N4O2S/c20-12-3-1-10(2-4-12)9-13(21)17-15-19-18-14(22-15)11-5-7-16-8-6-11/h1-8,20H,9H2,(H,17,19,21)
InChIKeyZYAIWCZCHIZDDC-UHFFFAOYSA-N
XLogP2.49
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 70887708) is 2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(Cc1ccc(O)cc1)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ZYAIWCZCHIZDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-12-3-1-10(2-4-12)9-13(21)17-15-19-18-14(22-15)11-5-7-16-8-6-11/h1-8,20H,9H2,(H,17,19,21).
What are the key properties of 2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 312.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 70887708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).