N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide

C11H20N4OS — CID 76930176

IUPACN'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide
SMILESCc1nc(CN(C)CCCCC(N)=NO)cs1
InChIInChI=1S/C11H20N4OS/c1-9-13-10(8-17-9)7-15(2)6-4-3-5-11(12)14-16/h8,16H,3-7H2,1-2H3,(H2,12,14)
InChIKeyKASICQLHXOYHGM-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.80
Rot. Bonds7

About N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide

N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide (PubChem CID 76930176) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide
PubChem CID76930176
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide
SMILESCc1nc(CN(C)CCCCC(N)=NO)cs1
InChIInChI=1S/C11H20N4OS/c1-9-13-10(8-17-9)7-15(2)6-4-3-5-11(12)14-16/h8,16H,3-7H2,1-2H3,(H2,12,14)
InChIKeyKASICQLHXOYHGM-UHFFFAOYSA-N
XLogP1.80
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.80
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(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
CID 76912814
N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide
CID 94230138
N'-hydroxy-2-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930167
N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 57374618
N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine
CID 55088905
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylbutane-1,4-diamine
CID 62428102
N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 77059339
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930177
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
2-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 76923800
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide (CID 76930176) is N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide is Cc1nc(CN(C)CCCCC(N)=NO)cs1.
What is the InChIKey of N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide?
The InChIKey is KASICQLHXOYHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-9-13-10(8-17-9)7-15(2)6-4-3-5-11(12)14-16/h8,16H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide?
N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide has a molecular weight of 256.37 g/mol, XLogP of 1.80, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide is sourced from PubChem (CID 76930176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).