N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide

C12H19N5O2S — CID 77059681

IUPACN'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
SMILESCCCc1nnsc1C(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C12H19N5O2S/c1-2-3-9-10(20-16-14-9)12(18)17-6-4-8(5-7-17)11(13)15-19/h8,19H,2-7H2,1H3,(H2,13,15)
InChIKeyBBLWSXIBPUBYQA-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.09
Rot. Bonds4

About N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide

N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide (PubChem CID 77059681) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
PubChem CID77059681
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
SMILESCCCc1nnsc1C(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C12H19N5O2S/c1-2-3-9-10(20-16-14-9)12(18)17-6-4-8(5-7-17)11(13)15-19/h8,19H,2-7H2,1H3,(H2,13,15)
InChIKeyBBLWSXIBPUBYQA-UHFFFAOYSA-N
XLogP1.09
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide (CID 77059681) is N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide is CCCc1nnsc1C(=O)N1CCC(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide?
The InChIKey is BBLWSXIBPUBYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-2-3-9-10(20-16-14-9)12(18)17-6-4-8(5-7-17)11(13)15-19/h8,19H,2-7H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide?
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide has a molecular weight of 297.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide is sourced from PubChem (CID 77059681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).