N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine

C11H9FN2OS — CID 162729362

IUPACN-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H9FN2OS/c1-7(14-15)11-13-6-10(16-11)8-2-4-9(12)5-3-8/h2-6,15H,1H3
InChIKeyKBAVMWGXAOXNTF-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.15
Rot. Bonds2

About N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine

N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine (PubChem CID 162729362) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine
PubChem CID162729362
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC NameN-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H9FN2OS/c1-7(14-15)11-13-6-10(16-11)8-2-4-9(12)5-3-8/h2-6,15H,1H3
InChIKeyKBAVMWGXAOXNTF-UHFFFAOYSA-N
XLogP3.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine (CID 162729362) is N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine is CC(=NO)c1ncc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine?
The InChIKey is KBAVMWGXAOXNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-7(14-15)11-13-6-10(16-11)8-2-4-9(12)5-3-8/h2-6,15H,1H3.
What are the key properties of N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine?
N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine has a molecular weight of 236.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 162729362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).