4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide

C14H13FN2OS — CID 81054224

IUPAC4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(Oc2cccc(F)c2)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H13FN2OS/c1-8-6-12(13(14(16)19)9(2)17-8)18-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H2,16,19)
InChIKeyONLCPIISZGTABT-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.26
Rot. Bonds3

About 4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide

4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81054224) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81054224
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(Oc2cccc(F)c2)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H13FN2OS/c1-8-6-12(13(14(16)19)9(2)17-8)18-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H2,16,19)
InChIKeyONLCPIISZGTABT-UHFFFAOYSA-N
XLogP3.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromo-5-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81331605
3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098671
2,6-dimethyl-4-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carbothioamide
CID 81054092
2,6-dimethyl-4-(4-propylphenoxy)pyridine-3-carbothioamide
CID 81035299
4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
CID 81346758
4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054592
5-bromo-2-(3-fluorophenoxy)benzenecarbothioamide
CID 114892209
4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
CID 116801309
6-(3-fluorophenoxy)pyridine-2-carbothioamide
CID 64593749
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036917
4-(4-chloro-3-fluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 82718060
4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81036289

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide (CID 81054224) is 4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(Oc2cccc(F)c2)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is ONLCPIISZGTABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-8-6-12(13(14(16)19)9(2)17-8)18-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H2,16,19).
What are the key properties of 4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide?
4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 276.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81054224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).