[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea

C10H10N4OS2 — CID 745321

IUPAC[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea
SMILESCSc1nnc(-c2ccc(NC(N)=S)cc2)o1
InChIInChI=1S/C10H10N4OS2/c1-17-10-14-13-8(15-10)6-2-4-7(5-3-6)12-9(11)16/h2-5H,1H3,(H3,11,12,16)
InChIKeyRVFZGBZWYBSRDP-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.11
Rot. Bonds3

About [4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea

[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea (PubChem CID 745321) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is [4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea
PubChem CID745321
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea
SMILESCSc1nnc(-c2ccc(NC(N)=S)cc2)o1
InChIInChI=1S/C10H10N4OS2/c1-17-10-14-13-8(15-10)6-2-4-7(5-3-6)12-9(11)16/h2-5H,1H3,(H3,11,12,16)
InChIKeyRVFZGBZWYBSRDP-UHFFFAOYSA-N
XLogP2.11
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea?
The IUPAC name of [4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea (CID 745321) is [4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea.
What is the SMILES notation for [4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea?
The canonical SMILES for [4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea is CSc1nnc(-c2ccc(NC(N)=S)cc2)o1.
What is the InChIKey of [4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea?
The InChIKey is RVFZGBZWYBSRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-17-10-14-13-8(15-10)6-2-4-7(5-3-6)12-9(11)16/h2-5H,1H3,(H3,11,12,16).
What are the key properties of [4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea?
[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea has a molecular weight of 266.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea is sourced from PubChem (CID 745321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).