4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide

C14H19N5OS — CID 77064296

IUPAC4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(C(N)=NO)cc1)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)12-16-13(21-18-12)19(4)10-7-5-9(6-8-10)11(15)17-20/h5-8,20H,1-4H3,(H2,15,17)
InChIKeyZACHLSDHXSXHCU-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.70
Rot. Bonds3

About 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide

4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 77064296) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID77064296
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(C(N)=NO)cc1)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)12-16-13(21-18-12)19(4)10-7-5-9(6-8-10)11(15)17-20/h5-8,20H,1-4H3,(H2,15,17)
InChIKeyZACHLSDHXSXHCU-UHFFFAOYSA-N
XLogP2.70
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.70
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-3-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]benzenecarboximidamide
CID 107304614
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]benzenecarbothioamide
CID 65272272
4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzenecarboximidamide
CID 65267617
N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide
CID 77014182
4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679480
6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide
CID 79679021
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
CID 79267976
N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 43128315
6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide
CID 76930776
4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 103582321
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218

Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide (CID 77064296) is 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide is CN(c1ccc(C(N)=NO)cc1)c1nc(C(C)(C)C)ns1.
What is the InChIKey of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZACHLSDHXSXHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-14(2,3)12-16-13(21-18-12)19(4)10-7-5-9(6-8-10)11(15)17-20/h5-8,20H,1-4H3,(H2,15,17).
What are the key properties of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide?
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 305.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77064296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).