N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide

C12H19N5O2S — CID 77059620

IUPACN'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
SMILESCC(C)c1nnsc1C(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C12H19N5O2S/c1-7(2)9-10(20-16-14-9)12(18)17-5-3-8(4-6-17)11(13)15-19/h7-8,19H,3-6H2,1-2H3,(H2,13,15)
InChIKeyQEDSYZYFGFQCBZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.26
Rot. Bonds3

About N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide

N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide (PubChem CID 77059620) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
PubChem CID77059620
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
SMILESCC(C)c1nnsc1C(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C12H19N5O2S/c1-7(2)9-10(20-16-14-9)12(18)17-5-3-8(4-6-17)11(13)15-19/h7-8,19H,3-6H2,1-2H3,(H2,13,15)
InChIKeyQEDSYZYFGFQCBZ-UHFFFAOYSA-N
XLogP1.26
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.26
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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Related Compounds

N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059681
1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one
CID 65204766
(3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 103575855
[4-(2-bromoethoxy)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 82701844
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
[2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 65204638
4-ethyl-2-methyl-5-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56757630
1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one
CID 79548585
4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 65204851
4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 65204507
3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65204553
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 81209564

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide (CID 77059620) is N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide is CC(C)c1nnsc1C(=O)N1CCC(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide?
The InChIKey is QEDSYZYFGFQCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-7(2)9-10(20-16-14-9)12(18)17-5-3-8(4-6-17)11(13)15-19/h7-8,19H,3-6H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide?
N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide has a molecular weight of 297.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide is sourced from PubChem (CID 77059620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).