6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide

C13H11FN4OS — CID 74381335

IUPAC6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
SMILESCc1c(C(N)=NO)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C13H11FN4OS/c1-7-11(12(15)17-19)20-13-16-10(6-18(7)13)8-2-4-9(14)5-3-8/h2-6,19H,1H3,(H2,15,17)
InChIKeyHBXQXZVXMDBUMN-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.60
Rot. Bonds2

About 6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide

6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide (PubChem CID 74381335) has the molecular formula C13H11FN4OS and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
PubChem CID74381335
Molecular FormulaC13H11FN4OS
Molecular Weight290.32 g/mol
Exact Mass290.06
IUPAC Name6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
SMILESCc1c(C(N)=NO)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C13H11FN4OS/c1-7-11(12(15)17-19)20-13-16-10(6-18(7)13)8-2-4-9(14)5-3-8/h2-6,19H,1H3,(H2,15,17)
InChIKeyHBXQXZVXMDBUMN-UHFFFAOYSA-N
XLogP2.60
TPSA75.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide?
The IUPAC name of 6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide (CID 74381335) is 6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide?
The canonical SMILES for 6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide is Cc1c(C(N)=NO)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide?
The InChIKey is HBXQXZVXMDBUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4OS/c1-7-11(12(15)17-19)20-13-16-10(6-18(7)13)8-2-4-9(14)5-3-8/h2-6,19H,1H3,(H2,15,17).
What are the key properties of 6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide?
6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide has a molecular weight of 290.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide is sourced from PubChem (CID 74381335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).