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

C10H18N4OS — CID 77031820

IUPACN'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCc1cnc(C)s1
InChIInChI=1S/C10H18N4OS/c1-3-8(4-10(11)14-15)13-6-9-5-12-7(2)16-9/h5,8,13,15H,3-4,6H2,1-2H3,(H2,11,14)
InChIKeyGRFLDKSIWXTLCW-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.46
Rot. Bonds6

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

N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide (PubChem CID 77031820) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide
PubChem CID77031820
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCc1cnc(C)s1
InChIInChI=1S/C10H18N4OS/c1-3-8(4-10(11)14-15)13-6-9-5-12-7(2)16-9/h5,8,13,15H,3-4,6H2,1-2H3,(H2,11,14)
InChIKeyGRFLDKSIWXTLCW-UHFFFAOYSA-N
XLogP1.46
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.46
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

N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanimidamide
CID 77031370
N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide
CID 106372805
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine
CID 61282170
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide
CID 103415690
(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 109374476
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 115353240
N'-hydroxy-3-[(2-methylphenyl)methylamino]pentanimidamide
CID 77029037
3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027152
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide
CID 63176642
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
3-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine
CID 61281607

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide (CID 77031820) is N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide is CCC(CC(N)=NO)NCc1cnc(C)s1.
What is the InChIKey of N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide?
The InChIKey is GRFLDKSIWXTLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-8(4-10(11)14-15)13-6-9-5-12-7(2)16-9/h5,8,13,15H,3-4,6H2,1-2H3,(H2,11,14).
What are the key properties of N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide?
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide has a molecular weight of 242.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide is sourced from PubChem (CID 77031820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).