N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide

C18H26N4OS — CID 135500010

IUPACN'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide
SMILESC/C(N)=N/c1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ns1
InChIInChI=1S/C18H26N4OS/c1-10(19)20-16-21-15(22-24-16)11-8-12(17(2,3)4)14(23)13(9-11)18(5,6)7/h8-9,23H,1-7H3,(H2,19,20,21,22)
InChIKeyAGHZDBJMDJJUJW-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.51
Rot. Bonds2

About N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide

N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide (PubChem CID 135500010) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide
PubChem CID135500010
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide
SMILESC/C(N)=N/c1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ns1
InChIInChI=1S/C18H26N4OS/c1-10(19)20-16-21-15(22-24-16)11-8-12(17(2,3)4)14(23)13(9-11)18(5,6)7/h8-9,23H,1-7H3,(H2,19,20,21,22)
InChIKeyAGHZDBJMDJJUJW-UHFFFAOYSA-N
XLogP4.51
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]methanimine oxide
CID 135923712
4-(3-amino-1H-1,2,4-triazol-5-yl)-2,6-ditert-butylphenol
CID 135492399
2,6-ditert-butyl-4-[5-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136960768
3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide
CID 135699520
2,6-ditert-butyl-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol;hydrochloride
CID 175666737
2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694939
2,6-ditert-butyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694940
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
CID 143396007
2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol
CID 2742347
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide?
The IUPAC name of N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide (CID 135500010) is N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide.
What is the SMILES notation for N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide?
The canonical SMILES for N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide is C/C(N)=N/c1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ns1.
What is the InChIKey of N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide?
The InChIKey is AGHZDBJMDJJUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-10(19)20-16-21-15(22-24-16)11-8-12(17(2,3)4)14(23)13(9-11)18(5,6)7/h8-9,23H,1-7H3,(H2,19,20,21,22).
What are the key properties of N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide?
N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide has a molecular weight of 346.50 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]ethanimidamide is sourced from PubChem (CID 135500010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).