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

C12H12ClN3O2S — CID 114323384

IUPAC4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
SMILESCc1nc(COc2cc(Cl)ccc2/C(N)=N/O)cs1
InChIInChI=1S/C12H12ClN3O2S/c1-7-15-9(6-19-7)5-18-11-4-8(13)2-3-10(11)12(14)16-17/h2-4,6,17H,5H2,1H3,(H2,14,16)
InChIKeyJZXLVDWUHJBHQV-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.78
Rot. Bonds4

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

4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide (PubChem CID 114323384) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
PubChem CID114323384
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
SMILESCc1nc(COc2cc(Cl)ccc2/C(N)=N/O)cs1
InChIInChI=1S/C12H12ClN3O2S/c1-7-15-9(6-19-7)5-18-11-4-8(13)2-3-10(11)12(14)16-17/h2-4,6,17H,5H2,1H3,(H2,14,16)
InChIKeyJZXLVDWUHJBHQV-UHFFFAOYSA-N
XLogP2.78
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.78
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'}

Analyze 4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
CID 80707777
2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54931526
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 77103658
4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323401
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114930346
4-chloro-N'-hydroxy-2-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 114323334
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
CID 76984720
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76984860

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide (CID 114323384) is 4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide is Cc1nc(COc2cc(Cl)ccc2/C(N)=N/O)cs1.
What is the InChIKey of 4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide?
The InChIKey is JZXLVDWUHJBHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-7-15-9(6-19-7)5-18-11-4-8(13)2-3-10(11)12(14)16-17/h2-4,6,17H,5H2,1H3,(H2,14,16).
What are the key properties of 4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide?
4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide has a molecular weight of 297.77 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 114323384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).