2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

C18H13N5O2S2 — CID 2243301

IUPAC2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C18H13N5O2S2/c24-14(19-17-20-15(23-27-17)12-7-3-1-4-8-12)11-26-18-22-21-16(25-18)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20,23,24)
InChIKeyCUCZDCTZVMMKLV-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.99
Rot. Bonds6

About 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 2243301) has the molecular formula C18H13N5O2S2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID2243301
Molecular FormulaC18H13N5O2S2
Molecular Weight395.47 g/mol
Exact Mass395.05
IUPAC Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C18H13N5O2S2/c24-14(19-17-20-15(23-27-17)12-7-3-1-4-8-12)11-26-18-22-21-16(25-18)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20,23,24)
InChIKeyCUCZDCTZVMMKLV-UHFFFAOYSA-N
XLogP3.99
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide (CID 2243301) is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide is O=C(CSc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is CUCZDCTZVMMKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S2/c24-14(19-17-20-15(23-27-17)12-7-3-1-4-8-12)11-26-18-22-21-16(25-18)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20,23,24).
What are the key properties of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 395.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 2243301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).