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

C11H19N5OS — CID 77012304

IUPACN'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H19N5OS/c1-11(2,9(12)14-17)16-6-4-15(5-7-16)10-13-3-8-18-10/h3,8,17H,4-7H2,1-2H3,(H2,12,14)
InChIKeyBASKWJQHMCAEOG-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.79
Rot. Bonds3

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

N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide (PubChem CID 77012304) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide
PubChem CID77012304
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC NameN'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H19N5OS/c1-11(2,9(12)14-17)16-6-4-15(5-7-16)10-13-3-8-18-10/h3,8,17H,4-7H2,1-2H3,(H2,12,14)
InChIKeyBASKWJQHMCAEOG-UHFFFAOYSA-N
XLogP0.79
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-2,2-dimethyl-3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide
CID 76919935
N'-hydroxy-2-methyl-2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanimidamide
CID 114570765
2-[4-(2-methylbut-3-yn-2-yl)piperazin-1-yl]-1,3-thiazole
CID 136573614
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-[2-(tert-butylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803442
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide
CID 80590607
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
N'-(2-methoxy-2-methylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111814741
N'-[2-(dimethylamino)-2-methylpropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111028763

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide (CID 77012304) is N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide is CC(C)(C(N)=NO)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide?
The InChIKey is BASKWJQHMCAEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-11(2,9(12)14-17)16-6-4-15(5-7-16)10-13-3-8-18-10/h3,8,17H,4-7H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide has a molecular weight of 269.37 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77012304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).