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

C9H16N4OS — CID 76930177

IUPACN'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
SMILESCc1nc(CN(C)C(C)C(N)=NO)cs1
InChIInChI=1S/C9H16N4OS/c1-6(9(10)12-14)13(3)4-8-5-15-7(2)11-8/h5-6,14H,4H2,1-3H3,(H2,10,12)
InChIKeyFRTFLMXVKHHGOD-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.02
Rot. Bonds4

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

N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide (PubChem CID 76930177) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
PubChem CID76930177
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC NameN'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
SMILESCc1nc(CN(C)C(C)C(N)=NO)cs1
InChIInChI=1S/C9H16N4OS/c1-6(9(10)12-14)13(3)4-8-5-15-7(2)11-8/h5-6,14H,4H2,1-3H3,(H2,10,12)
InChIKeyFRTFLMXVKHHGOD-UHFFFAOYSA-N
XLogP1.02
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
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-2-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930167
2-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 76923800
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
CID 63585043
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 104555115
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 64696462
1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
CID 62051669
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide
CID 76930176
N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 57374618
N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 81277355
6-amino-1,3-dimethyl-5-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanoyl]pyrimidine-2,4-dione
CID 86865451
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide
CID 63585046

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide (CID 76930177) is N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide is Cc1nc(CN(C)C(C)C(N)=NO)cs1.
What is the InChIKey of N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide?
The InChIKey is FRTFLMXVKHHGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-6(9(10)12-14)13(3)4-8-5-15-7(2)11-8/h5-6,14H,4H2,1-3H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide?
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide has a molecular weight of 228.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide is sourced from PubChem (CID 76930177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).