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

C11H20N4O2S — CID 114266338

IUPACN'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide
SMILESCc1csc(C(C)NCCOC(C)C(N)=NO)n1
InChIInChI=1S/C11H20N4O2S/c1-7-6-18-11(14-7)8(2)13-4-5-17-9(3)10(12)15-16/h6,8-9,13,16H,4-5H2,1-3H3,(H2,12,15)
InChIKeyWBLUPHMCIPYZJR-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.25
Rot. Bonds7

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

N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide (PubChem CID 114266338) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide
PubChem CID114266338
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide
SMILESCc1csc(C(C)NCCOC(C)C(N)=NO)n1
InChIInChI=1S/C11H20N4O2S/c1-7-6-18-11(14-7)8(2)13-4-5-17-9(3)10(12)15-16/h6,8-9,13,16H,4-5H2,1-3H3,(H2,12,15)
InChIKeyWBLUPHMCIPYZJR-UHFFFAOYSA-N
XLogP1.25
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide?
The IUPAC name of N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide (CID 114266338) is N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide is Cc1csc(C(C)NCCOC(C)C(N)=NO)n1.
What is the InChIKey of N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide?
The InChIKey is WBLUPHMCIPYZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-7-6-18-11(14-7)8(2)13-4-5-17-9(3)10(12)15-16/h6,8-9,13,16H,4-5H2,1-3H3,(H2,12,15).
What are the key properties of N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide?
N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide has a molecular weight of 272.37 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide is sourced from PubChem (CID 114266338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).