N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide

C11H11N3O2S — CID 121235637

IUPACN'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide
SMILESN/C(Cc1nc(-c2ccc(O)cc2)cs1)=N\O
InChIInChI=1S/C11H11N3O2S/c12-10(14-16)5-11-13-9(6-17-11)7-1-3-8(15)4-2-7/h1-4,6,15-16H,5H2,(H2,12,14)
InChIKeyKCQAPKIMUQSGBV-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.80
Rot. Bonds3

About N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide

N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide (PubChem CID 121235637) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide
PubChem CID121235637
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide
SMILESN/C(Cc1nc(-c2ccc(O)cc2)cs1)=N\O
InChIInChI=1S/C11H11N3O2S/c12-10(14-16)5-11-13-9(6-17-11)7-1-3-8(15)4-2-7/h1-4,6,15-16H,5H2,(H2,12,14)
InChIKeyKCQAPKIMUQSGBV-UHFFFAOYSA-N
XLogP1.80
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide
CID 2807743
[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 146469372
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide
CID 110393596
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767838
ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 16566879
2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 177213741
2-(4-fluorophenyl)-N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110393662

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide (CID 121235637) is N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide is N/C(Cc1nc(-c2ccc(O)cc2)cs1)=N\O.
What is the InChIKey of N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide?
The InChIKey is KCQAPKIMUQSGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-10(14-16)5-11-13-9(6-17-11)7-1-3-8(15)4-2-7/h1-4,6,15-16H,5H2,(H2,12,14).
What are the key properties of N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide?
N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide has a molecular weight of 249.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide is sourced from PubChem (CID 121235637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).