N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide

C12H21N3OS2 — CID 106712696

IUPACN'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide
SMILESCc1csc(SCCCCC(C)(C)C(N)=NO)n1
InChIInChI=1S/C12H21N3OS2/c1-9-8-18-11(14-9)17-7-5-4-6-12(2,3)10(13)15-16/h8,16H,4-7H2,1-3H3,(H2,13,15)
InChIKeyURHDXDMCXJHAQS-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.49
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide

N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide (PubChem CID 106712696) has the molecular formula C12H21N3OS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide
PubChem CID106712696
Molecular FormulaC12H21N3OS2
Molecular Weight287.45 g/mol
Exact Mass287.11
IUPAC NameN'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide
SMILESCc1csc(SCCCCC(C)(C)C(N)=NO)n1
InChIInChI=1S/C12H21N3OS2/c1-9-8-18-11(14-9)17-7-5-4-6-12(2,3)10(13)15-16/h8,16H,4-7H2,1-3H3,(H2,13,15)
InChIKeyURHDXDMCXJHAQS-UHFFFAOYSA-N
XLogP3.49
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.49
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-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide (CID 106712696) is N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide is Cc1csc(SCCCCC(C)(C)C(N)=NO)n1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide?
The InChIKey is URHDXDMCXJHAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS2/c1-9-8-18-11(14-9)17-7-5-4-6-12(2,3)10(13)15-16/h8,16H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide has a molecular weight of 287.45 g/mol, XLogP of 3.49, 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-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]hexanimidamide is sourced from PubChem (CID 106712696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).