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

C13H15N3O2S — CID 77103772

IUPACN'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
SMILESCc1nc(COc2ccc(CC(N)=NO)cc2)cs1
InChIInChI=1S/C13H15N3O2S/c1-9-15-11(8-19-9)7-18-12-4-2-10(3-5-12)6-13(14)16-17/h2-5,8,17H,6-7H2,1H3,(H2,14,16)
InChIKeyYWEKXIBDCRKRBV-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.32
Rot. Bonds5

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

N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide (PubChem CID 77103772) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
PubChem CID77103772
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
SMILESCc1nc(COc2ccc(CC(N)=NO)cc2)cs1
InChIInChI=1S/C13H15N3O2S/c1-9-15-11(8-19-9)7-18-12-4-2-10(3-5-12)6-13(14)16-17/h2-5,8,17H,6-7H2,1H3,(H2,14,16)
InChIKeyYWEKXIBDCRKRBV-UHFFFAOYSA-N
XLogP2.32
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.32
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'}, {'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-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 57374618
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 24703645
2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628
(E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine
CID 118975002
(1S)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 55189009
[[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate
CID 2818572
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 24692353
2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 110905977
4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
CID 114323384
(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495508
2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 105371860

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide (CID 77103772) is N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide is Cc1nc(COc2ccc(CC(N)=NO)cc2)cs1.
What is the InChIKey of N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide?
The InChIKey is YWEKXIBDCRKRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-15-11(8-19-9)7-18-12-4-2-10(3-5-12)6-13(14)16-17/h2-5,8,17H,6-7H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide?
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide has a molecular weight of 277.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide is sourced from PubChem (CID 77103772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).