N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide

C11H11N3OS — CID 73448477

IUPACN'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
SMILESNC(Cc1nc(-c2ccccc2)cs1)=NO
InChIInChI=1S/C11H11N3OS/c12-10(14-15)6-11-13-9(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H,6H2,(H2,12,14)
InChIKeyAGYSEFSWWGRKEB-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.10
Rot. Bonds3

About N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide

N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide (PubChem CID 73448477) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
PubChem CID73448477
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
SMILESNC(Cc1nc(-c2ccccc2)cs1)=NO
InChIInChI=1S/C11H11N3OS/c12-10(14-15)6-11-13-9(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H,6H2,(H2,12,14)
InChIKeyAGYSEFSWWGRKEB-UHFFFAOYSA-N
XLogP2.10
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethanimidamide
CID 121235637
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide
CID 2807743
2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
CID 105113691
(2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 173467340
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
CID 116554751
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923178
1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 116601053
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
4-(4-phenyl-1,3-thiazol-2-yl)but-2-yn-1-ol
CID 79817698

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide (CID 73448477) is N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide is NC(Cc1nc(-c2ccccc2)cs1)=NO.
What is the InChIKey of N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide?
The InChIKey is AGYSEFSWWGRKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-10(14-15)6-11-13-9(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H,6H2,(H2,12,14).
What are the key properties of N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide?
N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide has a molecular weight of 233.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide is sourced from PubChem (CID 73448477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).