5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C14H13ClN4OS2 — CID 33080782

IUPAC5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C14H13ClN4OS2/c1-2-16-13-18-19-14(22-13)21-8-11-7-20-12(17-11)9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyZNQAGBIJYSEYNL-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.57
Rot. Bonds6

About 5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 33080782) has the molecular formula C14H13ClN4OS2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID33080782
Molecular FormulaC14H13ClN4OS2
Molecular Weight352.87 g/mol
Exact Mass352.02
IUPAC Name5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C14H13ClN4OS2/c1-2-16-13-18-19-14(22-13)21-8-11-7-20-12(17-11)9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyZNQAGBIJYSEYNL-UHFFFAOYSA-N
XLogP4.57
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 33080782) is 5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1.
What is the InChIKey of 5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZNQAGBIJYSEYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS2/c1-2-16-13-18-19-14(22-13)21-8-11-7-20-12(17-11)9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H,16,18).
What are the key properties of 5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 352.87 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 33080782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).