N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide

C10H18N4OS — CID 76912814

IUPACN'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
SMILESCN(CCCCC(N)=NO)Cc1cscn1
InChIInChI=1S/C10H18N4OS/c1-14(6-9-7-16-8-12-9)5-3-2-4-10(11)13-15/h7-8,15H,2-6H2,1H3,(H2,11,13)
InChIKeyPIBYVUSYPKDVAI-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.49
Rot. Bonds7

About N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide

N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide (PubChem CID 76912814) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
PubChem CID76912814
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
SMILESCN(CCCCC(N)=NO)Cc1cscn1
InChIInChI=1S/C10H18N4OS/c1-14(6-9-7-16-8-12-9)5-3-2-4-10(11)13-15/h7-8,15H,2-6H2,1H3,(H2,11,13)
InChIKeyPIBYVUSYPKDVAI-UHFFFAOYSA-N
XLogP1.49
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.49
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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Related Compounds

N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide
CID 76930176
5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
CID 62228232
N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide
CID 94230138
9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol
CID 105344114
2,2-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
CID 65258378
5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide
CID 54966073
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551
N-cyclopropyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 62427015
5-fluoro-N'-hydroxy-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76994396
N'-methyl-N-phenyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 55087775
2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol
CID 114495556
7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride
CID 119864882

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide (CID 76912814) is N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide is CN(CCCCC(N)=NO)Cc1cscn1.
What is the InChIKey of N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide?
The InChIKey is PIBYVUSYPKDVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-14(6-9-7-16-8-12-9)5-3-2-4-10(11)13-15/h7-8,15H,2-6H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide?
N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide has a molecular weight of 242.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide is sourced from PubChem (CID 76912814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).