N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide

C13H12N4O2S — CID 115331977

IUPACN'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(OCc2cn3ccsc3n2)c1
InChIInChI=1S/C13H12N4O2S/c14-12(16-18)9-2-1-3-11(6-9)19-8-10-7-17-4-5-20-13(17)15-10/h1-7,18H,8H2,(H2,14,16)
InChIKeyUQNHLVQBOPKLKT-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.07
Rot. Bonds4

About N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide

N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide (PubChem CID 115331977) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
PubChem CID115331977
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1cccc(OCc2cn3ccsc3n2)c1
InChIInChI=1S/C13H12N4O2S/c14-12(16-18)9-2-1-3-11(6-9)19-8-10-7-17-4-5-20-13(17)15-10/h1-7,18H,8H2,(H2,14,16)
InChIKeyUQNHLVQBOPKLKT-UHFFFAOYSA-N
XLogP2.07
TPSA85.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.07
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-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331979
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
2-chloro-N'-hydroxy-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide
CID 115331982
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115331304
(NZ)-N-[1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 115332012
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxybenzenecarbothioamide
CID 103567303
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332160
2-chloro-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarbothioamide
CID 115331871
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24701418

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide (CID 115331977) is N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide is N/C(=N/O)c1cccc(OCc2cn3ccsc3n2)c1.
What is the InChIKey of N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide?
The InChIKey is UQNHLVQBOPKLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-12(16-18)9-2-1-3-11(6-9)19-8-10-7-17-4-5-20-13(17)15-10/h1-7,18H,8H2,(H2,14,16).
What are the key properties of N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide has a molecular weight of 288.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 115331977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).