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

C10H10N4O2S — CID 169357970

IUPAC[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea
SMILESCc1nnc(-c2cc(NC(N)=S)ccc2O)o1
InChIInChI=1S/C10H10N4O2S/c1-5-13-14-9(16-5)7-4-6(12-10(11)17)2-3-8(7)15/h2-4,15H,1H3,(H3,11,12,17)
InChIKeyIIHNJTLSJFNTTJ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.41
Rot. Bonds2

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

[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea (PubChem CID 169357970) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is [4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea
PubChem CID169357970
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea
SMILESCc1nnc(-c2cc(NC(N)=S)ccc2O)o1
InChIInChI=1S/C10H10N4O2S/c1-5-13-14-9(16-5)7-4-6(12-10(11)17)2-3-8(7)15/h2-4,15H,1H3,(H3,11,12,17)
InChIKeyIIHNJTLSJFNTTJ-UHFFFAOYSA-N
XLogP1.41
TPSA97.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea?
The IUPAC name of [4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea (CID 169357970) is [4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea.
What is the SMILES notation for [4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea?
The canonical SMILES for [4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea is Cc1nnc(-c2cc(NC(N)=S)ccc2O)o1.
What is the InChIKey of [4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea?
The InChIKey is IIHNJTLSJFNTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-5-13-14-9(16-5)7-4-6(12-10(11)17)2-3-8(7)15/h2-4,15H,1H3,(H3,11,12,17).
What are the key properties of [4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea?
[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea has a molecular weight of 250.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea is sourced from PubChem (CID 169357970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).