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

C12H21N3O2S — CID 77062748

IUPACN'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide
SMILESCc1ncsc1CCOCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H21N3O2S/c1-9-10(18-8-14-9)4-6-17-7-5-12(2,3)11(13)15-16/h8,16H,4-7H2,1-3H3,(H2,13,15)
InChIKeyHQUOFEYFSJNMKD-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.17
Rot. Bonds7

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

N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide (PubChem CID 77062748) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide
PubChem CID77062748
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide
SMILESCc1ncsc1CCOCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H21N3O2S/c1-9-10(18-8-14-9)4-6-17-7-5-12(2,3)11(13)15-16/h8,16H,4-7H2,1-3H3,(H2,13,15)
InChIKeyHQUOFEYFSJNMKD-UHFFFAOYSA-N
XLogP2.17
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide (CID 77062748) is N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide is Cc1ncsc1CCOCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide?
The InChIKey is HQUOFEYFSJNMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-10(18-8-14-9)4-6-17-7-5-12(2,3)11(13)15-16/h8,16H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide has a molecular weight of 271.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide is sourced from PubChem (CID 77062748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).