6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide

C14H13ClN2OS — CID 43369949

IUPAC6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide
SMILESCc1cc(Oc2ccc(C(N)=S)cn2)cc(C)c1Cl
InChIInChI=1S/C14H13ClN2OS/c1-8-5-11(6-9(2)13(8)15)18-12-4-3-10(7-17-12)14(16)19/h3-7H,1-2H3,(H2,16,19)
InChIKeySONOIKMMJZZFGZ-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.78
Rot. Bonds3

About 6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide

6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide (PubChem CID 43369949) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide
PubChem CID43369949
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide
SMILESCc1cc(Oc2ccc(C(N)=S)cn2)cc(C)c1Cl
InChIInChI=1S/C14H13ClN2OS/c1-8-5-11(6-9(2)13(8)15)18-12-4-3-10(7-17-12)14(16)19/h3-7H,1-2H3,(H2,16,19)
InChIKeySONOIKMMJZZFGZ-UHFFFAOYSA-N
XLogP3.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.78
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-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide
CID 64600208
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide
CID 28933737
6-(4-bromo-3-fluorophenoxy)pyridine-3-carbothioamide
CID 65203705
6-(3-bromo-4-fluorophenoxy)pyridine-3-carbothioamide
CID 83231746
6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide
CID 107708868
6-propan-2-yloxypyridine-3-carbothioamide
CID 24703491
6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
CID 83141115
4-[[6-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194121
2-bromo-4-(4-chloro-3,5-dimethylphenoxy)benzenecarbothioamide
CID 107278341
ethane;6-methylpyridine-3-carbothioamide
CID 143699561
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carbothioamide
CID 71560810

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide?
The IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide (CID 43369949) is 6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide?
The canonical SMILES for 6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide is Cc1cc(Oc2ccc(C(N)=S)cn2)cc(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide?
The InChIKey is SONOIKMMJZZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-8-5-11(6-9(2)13(8)15)18-12-4-3-10(7-17-12)14(16)19/h3-7H,1-2H3,(H2,16,19).
What are the key properties of 6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide?
6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide has a molecular weight of 292.79 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide is sourced from PubChem (CID 43369949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).