N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide

C10H8ClN3O2S — CID 71044963

IUPACN-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1-c1n[nH]c(=S)o1
InChIInChI=1S/C10H8ClN3O2S/c1-5(15)12-8-3-2-6(11)4-7(8)9-13-14-10(17)16-9/h2-4H,1H3,(H,12,15)(H,14,17)
InChIKeyDVKRWFLTYFLCMZ-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.01
Rot. Bonds2

About N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide

N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide (PubChem CID 71044963) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide
PubChem CID71044963
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC NameN-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1-c1n[nH]c(=S)o1
InChIInChI=1S/C10H8ClN3O2S/c1-5(15)12-8-3-2-6(11)4-7(8)9-13-14-10(17)16-9/h2-4H,1H3,(H,12,15)(H,14,17)
InChIKeyDVKRWFLTYFLCMZ-UHFFFAOYSA-N
XLogP3.01
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide (CID 71044963) is N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(Cl)cc1-c1n[nH]c(=S)o1.
What is the InChIKey of N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide?
The InChIKey is DVKRWFLTYFLCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c1-5(15)12-8-3-2-6(11)4-7(8)9-13-14-10(17)16-9/h2-4H,1H3,(H,12,15)(H,14,17).
What are the key properties of N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide?
N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide has a molecular weight of 269.71 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 71044963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).