N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide

C7H8N4OS — CID 83879846

IUPACN'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide
SMILESN/C(Cc1cn2ccnc2s1)=N\O
InChIInChI=1S/C7H8N4OS/c8-6(10-12)3-5-4-11-2-1-9-7(11)13-5/h1-2,4,12H,3H2,(H2,8,10)
InChIKeyMYMGFMUUWVBFPX-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.68
Rot. Bonds2

About N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide

N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide (PubChem CID 83879846) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide
PubChem CID83879846
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC NameN'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide
SMILESN/C(Cc1cn2ccnc2s1)=N\O
InChIInChI=1S/C7H8N4OS/c8-6(10-12)3-5-4-11-2-1-9-7(11)13-5/h1-2,4,12H,3H2,(H2,8,10)
InChIKeyMYMGFMUUWVBFPX-UHFFFAOYSA-N
XLogP0.68
TPSA75.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.68
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

2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde
CID 83873482
3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid
CID 82399636
2-bromoimidazo[2,1-b][1,3]thiazole
CID 45158653
2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol
CID 146140550
(2-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazol-4-yl)methanamine
CID 82389158
N'-hydroxy-2-pyrimidin-4-ylethanimidamide
CID 83872565
5-(2-ethylimidazol-1-yl)-N'-hydroxypentanimidamide
CID 109374642
N'-hydroxy-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanimidamide
CID 83881906
N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 167937856
N'-hydroxy-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanimidamide
CID 83877712
N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide
CID 77024887
N'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide?
The IUPAC name of N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide (CID 83879846) is N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide?
The canonical SMILES for N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide is N/C(Cc1cn2ccnc2s1)=N\O.
What is the InChIKey of N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide?
The InChIKey is MYMGFMUUWVBFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c8-6(10-12)3-5-4-11-2-1-9-7(11)13-5/h1-2,4,12H,3H2,(H2,8,10).
What are the key properties of N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide?
N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide has a molecular weight of 196.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide is sourced from PubChem (CID 83879846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).