[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol

C11H10FNOS2 — CID 82423020

IUPAC[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
SMILESFc1ccccc1OCc1ncc(CS)s1
InChIInChI=1S/C11H10FNOS2/c12-9-3-1-2-4-10(9)14-6-11-13-5-8(7-15)16-11/h1-5,15H,6-7H2
InChIKeyZTRFKOCKXFGJKT-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.29
Rot. Bonds4

About [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol

[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol (PubChem CID 82423020) has the molecular formula C11H10FNOS2 and a molecular weight of 255.34 g/mol. Its IUPAC name is [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
PubChem CID82423020
Molecular FormulaC11H10FNOS2
Molecular Weight255.34 g/mol
Exact Mass255.02
IUPAC Name[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
SMILESFc1ccccc1OCc1ncc(CS)s1
InChIInChI=1S/C11H10FNOS2/c12-9-3-1-2-4-10(9)14-6-11-13-5-8(7-15)16-11/h1-5,15H,6-7H2
InChIKeyZTRFKOCKXFGJKT-UHFFFAOYSA-N
XLogP3.29
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol (CID 82423020) is [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol is Fc1ccccc1OCc1ncc(CS)s1.
What is the InChIKey of [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol?
The InChIKey is ZTRFKOCKXFGJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS2/c12-9-3-1-2-4-10(9)14-6-11-13-5-8(7-15)16-11/h1-5,15H,6-7H2.
What are the key properties of [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol?
[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol has a molecular weight of 255.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82423020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).