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

C16H10ClN5O2S3 — CID 60549085

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1nnc(-c2ccsc2)s1
InChIInChI=1S/C16H10ClN5O2S3/c17-11-3-1-9(2-4-11)13-19-22-16(24-13)26-8-12(23)18-15-21-20-14(27-15)10-5-6-25-7-10/h1-7H,8H2,(H,18,21,23)
InChIKeyXLGVULSTNGQBPI-UHFFFAOYSA-N
MW435.94 g/mol
LogP4.70
Rot. Bonds6

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

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 60549085) has the molecular formula C16H10ClN5O2S3 and a molecular weight of 435.94 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID60549085
Molecular FormulaC16H10ClN5O2S3
Molecular Weight435.94 g/mol
Exact Mass434.97
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1nnc(-c2ccsc2)s1
InChIInChI=1S/C16H10ClN5O2S3/c17-11-3-1-9(2-4-11)13-19-22-16(24-13)26-8-12(23)18-15-21-20-14(27-15)10-5-6-25-7-10/h1-7H,8H2,(H,18,21,23)
InChIKeyXLGVULSTNGQBPI-UHFFFAOYSA-N
XLogP4.70
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112793283
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 55508200
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 29065772
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 51140659
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 56735774
N-[4-(4-chlorophenoxy)phenyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3255852
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 26116935
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7907076
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55332945
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 26243736
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfanylphenyl)acetamide
CID 27365004

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 60549085) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1nnc(-c2ccsc2)s1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XLGVULSTNGQBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5O2S3/c17-11-3-1-9(2-4-11)13-19-22-16(24-13)26-8-12(23)18-15-21-20-14(27-15)10-5-6-25-7-10/h1-7H,8H2,(H,18,21,23).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 435.94 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 60549085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).