2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole

C7H7ClN4OS3 — CID 47132262

IUPAC2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCSCc1nnc(SCc2nnsc2Cl)o1
InChIInChI=1S/C7H7ClN4OS3/c1-14-3-5-10-11-7(13-5)15-2-4-6(8)16-12-9-4/h2-3H2,1H3
InChIKeyPDKYVYBHAFPRDJ-UHFFFAOYSA-N
MW294.81 g/mol
LogP2.73
Rot. Bonds5

About 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole

2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 47132262) has the molecular formula C7H7ClN4OS3 and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID47132262
Molecular FormulaC7H7ClN4OS3
Molecular Weight294.81 g/mol
Exact Mass293.95
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCSCc1nnc(SCc2nnsc2Cl)o1
InChIInChI=1S/C7H7ClN4OS3/c1-14-3-5-10-11-7(13-5)15-2-4-6(8)16-12-9-4/h2-3H2,1H3
InChIKeyPDKYVYBHAFPRDJ-UHFFFAOYSA-N
XLogP2.73
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole (CID 47132262) is 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole is CSCc1nnc(SCc2nnsc2Cl)o1.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is PDKYVYBHAFPRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4OS3/c1-14-3-5-10-11-7(13-5)15-2-4-6(8)16-12-9-4/h2-3H2,1H3.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 294.81 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 47132262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).