N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide

C11H20N4OS — CID 77045251

IUPACN'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(CC)c1nccs1
InChIInChI=1S/C11H20N4OS/c1-3-8(7-10(12)15-16)14-9(4-2)11-13-5-6-17-11/h5-6,8-9,14,16H,3-4,7H2,1-2H3,(H2,12,15)
InChIKeyKMUIMSKNKCYIGG-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.10
Rot. Bonds7

About N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide

N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide (PubChem CID 77045251) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide
PubChem CID77045251
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(CC)c1nccs1
InChIInChI=1S/C11H20N4OS/c1-3-8(7-10(12)15-16)14-9(4-2)11-13-5-6-17-11/h5-6,8-9,14,16H,3-4,7H2,1-2H3,(H2,12,15)
InChIKeyKMUIMSKNKCYIGG-UHFFFAOYSA-N
XLogP2.10
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359
N'-hydroxy-2-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzenecarboximidamide
CID 77045231
N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
CID 61218176
2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 83041635
N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031256
1-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115901761
3-chloro-N'-hydroxy-4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzenecarboximidamide
CID 102667261
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide
CID 82938574
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide (CID 77045251) is N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide is CCC(CC(N)=NO)NC(CC)c1nccs1.
What is the InChIKey of N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide?
The InChIKey is KMUIMSKNKCYIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-3-8(7-10(12)15-16)14-9(4-2)11-13-5-6-17-11/h5-6,8-9,14,16H,3-4,7H2,1-2H3,(H2,12,15).
What are the key properties of N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide?
N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide has a molecular weight of 256.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[1-(1,3-thiazol-2-yl)propylamino]pentanimidamide is sourced from PubChem (CID 77045251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).