2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide

C11H19N5OS — CID 77058053

IUPAC2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCc1nc(N2CCN(CC(N)=NO)CC2)sc1C
InChIInChI=1S/C11H19N5OS/c1-8-9(2)18-11(13-8)16-5-3-15(4-6-16)7-10(12)14-17/h17H,3-7H2,1-2H3,(H2,12,14)
InChIKeyGLDKONSUBNVOFY-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.63
Rot. Bonds3

About 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 77058053) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID77058053
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCc1nc(N2CCN(CC(N)=NO)CC2)sc1C
InChIInChI=1S/C11H19N5OS/c1-8-9(2)18-11(13-8)16-5-3-15(4-6-16)7-10(12)14-17/h17H,3-7H2,1-2H3,(H2,12,14)
InChIKeyGLDKONSUBNVOFY-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
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

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064349
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 122160087
5-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901161
2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011987
4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 65169838
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-amine
CID 65169125
2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988
N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide
CID 77011817
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 109378461
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one
CID 65169259
N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
CID 57368864
N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide
CID 77011953

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 77058053) is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide is Cc1nc(N2CCN(CC(N)=NO)CC2)sc1C.
What is the InChIKey of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is GLDKONSUBNVOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8-9(2)18-11(13-8)16-5-3-15(4-6-16)7-10(12)14-17/h17H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 269.37 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77058053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).