6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide

C15H16N2OS — CID 28933737

IUPAC6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide
SMILESCc1cc(C)c(C)c(Oc2ccc(C(N)=S)cn2)c1
InChIInChI=1S/C15H16N2OS/c1-9-6-10(2)11(3)13(7-9)18-14-5-4-12(8-17-14)15(16)19/h4-8H,1-3H3,(H2,16,19)
InChIKeyWVQRBJCRSIXLJU-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.43
Rot. Bonds3

About 6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide

6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide (PubChem CID 28933737) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide
PubChem CID28933737
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide
SMILESCc1cc(C)c(C)c(Oc2ccc(C(N)=S)cn2)c1
InChIInChI=1S/C15H16N2OS/c1-9-6-10(2)11(3)13(7-9)18-14-5-4-12(8-17-14)15(16)19/h4-8H,1-3H3,(H2,16,19)
InChIKeyWVQRBJCRSIXLJU-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.43
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

6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide
CID 43369949
5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
CID 107087446
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
N-[[6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62323095
6-propan-2-yloxypyridine-3-carbothioamide
CID 24703491
6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide
CID 64600208
6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364410
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
CID 64855796
6-(2,2-difluoroethoxy)pyridine-3-carbothioamide
CID 82004872
2-fluoro-6-(2,3,5-trimethylphenoxy)benzenecarbothioamide
CID 79519677
6-(3-bromo-4-fluorophenoxy)pyridine-3-carbothioamide
CID 83231746

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide?
The IUPAC name of 6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide (CID 28933737) is 6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide?
The canonical SMILES for 6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide is Cc1cc(C)c(C)c(Oc2ccc(C(N)=S)cn2)c1.
What is the InChIKey of 6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide?
The InChIKey is WVQRBJCRSIXLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-9-6-10(2)11(3)13(7-9)18-14-5-4-12(8-17-14)15(16)19/h4-8H,1-3H3,(H2,16,19).
What are the key properties of 6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide?
6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide has a molecular weight of 272.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide is sourced from PubChem (CID 28933737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).