2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol

C10H8FNOS — CID 70639220

IUPAC2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol
SMILESCc1ncc(-c2ccc(F)c(S)c2)o1
InChIInChI=1S/C10H8FNOS/c1-6-12-5-9(13-6)7-2-3-8(11)10(14)4-7/h2-5,14H,1H3
InChIKeyJQKHTGWFMUWHJT-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.08
Rot. Bonds1

About 2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol

2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol (PubChem CID 70639220) has the molecular formula C10H8FNOS and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol.

Molecular Properties

Compound Name2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol
PubChem CID70639220
Molecular FormulaC10H8FNOS
Molecular Weight209.25 g/mol
Exact Mass209.03
IUPAC Name2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol
SMILESCc1ncc(-c2ccc(F)c(S)c2)o1
InChIInChI=1S/C10H8FNOS/c1-6-12-5-9(13-6)7-2-3-8(11)10(14)4-7/h2-5,14H,1H3
InChIKeyJQKHTGWFMUWHJT-UHFFFAOYSA-N
XLogP3.08
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol?
The IUPAC name of 2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol (CID 70639220) is 2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol.
What is the SMILES notation for 2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol?
The canonical SMILES for 2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol is Cc1ncc(-c2ccc(F)c(S)c2)o1.
What is the InChIKey of 2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol?
The InChIKey is JQKHTGWFMUWHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS/c1-6-12-5-9(13-6)7-2-3-8(11)10(14)4-7/h2-5,14H,1H3.
What are the key properties of 2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol?
2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol has a molecular weight of 209.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol is sourced from PubChem (CID 70639220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).