5-(4-propoxyphenoxy)pyridine-2-carbothioamide

C15H16N2O2S — CID 115488868

IUPAC5-(4-propoxyphenoxy)pyridine-2-carbothioamide
SMILESCCCOc1ccc(Oc2ccc(C(N)=S)nc2)cc1
InChIInChI=1S/C15H16N2O2S/c1-2-9-18-11-3-5-12(6-4-11)19-13-7-8-14(15(16)20)17-10-13/h3-8,10H,2,9H2,1H3,(H2,16,20)
InChIKeyYZRLHPOPNYDPPK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.30
Rot. Bonds6

About 5-(4-propoxyphenoxy)pyridine-2-carbothioamide

5-(4-propoxyphenoxy)pyridine-2-carbothioamide (PubChem CID 115488868) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-(4-propoxyphenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(4-propoxyphenoxy)pyridine-2-carbothioamide
PubChem CID115488868
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name5-(4-propoxyphenoxy)pyridine-2-carbothioamide
SMILESCCCOc1ccc(Oc2ccc(C(N)=S)nc2)cc1
InChIInChI=1S/C15H16N2O2S/c1-2-9-18-11-3-5-12(6-4-11)19-13-7-8-14(15(16)20)17-10-13/h3-8,10H,2,9H2,1H3,(H2,16,20)
InChIKeyYZRLHPOPNYDPPK-UHFFFAOYSA-N
XLogP3.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxypropoxy)pyridine-2-carbothioamide
CID 115488901
5-[4-(trifluoromethyl)phenoxy]pyridine-2-carbothioamide
CID 115488880
5-(2-ethoxyphenoxy)pyridine-2-carbothioamide
CID 115488829
5-(3-methylphenoxy)pyridine-2-carbothioamide
CID 113321030
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
5-[2-(3-methoxypropoxy)ethoxy]pyridine-2-carbothioamide
CID 103177661
5-(4-ethoxyphenoxy)pyridine-2-carboximidamide
CID 115489787
5-(2-chlorophenoxy)pyridine-2-carbothioamide
CID 113321027
5-(4-chloro-2-methylphenoxy)pyridine-2-carbothioamide
CID 113321034
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide
CID 113321067
4-(4-propoxyanilino)benzenecarbothioamide
CID 62327993

Frequently Asked Questions

What is the IUPAC name of 5-(4-propoxyphenoxy)pyridine-2-carbothioamide?
The IUPAC name of 5-(4-propoxyphenoxy)pyridine-2-carbothioamide (CID 115488868) is 5-(4-propoxyphenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(4-propoxyphenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 5-(4-propoxyphenoxy)pyridine-2-carbothioamide is CCCOc1ccc(Oc2ccc(C(N)=S)nc2)cc1.
What is the InChIKey of 5-(4-propoxyphenoxy)pyridine-2-carbothioamide?
The InChIKey is YZRLHPOPNYDPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-9-18-11-3-5-12(6-4-11)19-13-7-8-14(15(16)20)17-10-13/h3-8,10H,2,9H2,1H3,(H2,16,20).
What are the key properties of 5-(4-propoxyphenoxy)pyridine-2-carbothioamide?
5-(4-propoxyphenoxy)pyridine-2-carbothioamide has a molecular weight of 288.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propoxyphenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 115488868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).