N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide

C14H17N3O2S — CID 107109654

IUPACN'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OCCc1scnc1C
InChIInChI=1S/C14H17N3O2S/c1-9-4-3-5-11(14(15)17-18)13(9)19-7-6-12-10(2)16-8-20-12/h3-5,8,18H,6-7H2,1-2H3,(H2,15,17)
InChIKeyORCHFQHXXAXMRQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.48
Rot. Bonds5

About N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide

N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide (PubChem CID 107109654) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide
PubChem CID107109654
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OCCc1scnc1C
InChIInChI=1S/C14H17N3O2S/c1-9-4-3-5-11(14(15)17-18)13(9)19-7-6-12-10(2)16-8-20-12/h3-5,8,18H,6-7H2,1-2H3,(H2,15,17)
InChIKeyORCHFQHXXAXMRQ-UHFFFAOYSA-N
XLogP2.48
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.48
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

methyl 3-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoate
CID 115935655
2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109715
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109701
N'-hydroxy-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109864
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine
CID 106777282
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832
1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 62071710
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarbothioamide
CID 62948313
1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62072174

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide (CID 107109654) is N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1OCCc1scnc1C.
What is the InChIKey of N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide?
The InChIKey is ORCHFQHXXAXMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-4-3-5-11(14(15)17-18)13(9)19-7-6-12-10(2)16-8-20-12/h3-5,8,18H,6-7H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide?
N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide has a molecular weight of 291.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 107109654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).