4-octan-2-yloxypyridine-2-carbothioamide

C14H22N2OS — CID 55155513

IUPAC4-octan-2-yloxypyridine-2-carbothioamide
SMILESCCCCCCC(C)Oc1ccnc(C(N)=S)c1
InChIInChI=1S/C14H22N2OS/c1-3-4-5-6-7-11(2)17-12-8-9-16-13(10-12)14(15)18/h8-11H,3-7H2,1-2H3,(H2,15,18)
InChIKeyZNQNWOAHDBJKJP-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.45
Rot. Bonds8

About 4-octan-2-yloxypyridine-2-carbothioamide

4-octan-2-yloxypyridine-2-carbothioamide (PubChem CID 55155513) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-octan-2-yloxypyridine-2-carbothioamide.

Molecular Properties

Compound Name4-octan-2-yloxypyridine-2-carbothioamide
PubChem CID55155513
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-octan-2-yloxypyridine-2-carbothioamide
SMILESCCCCCCC(C)Oc1ccnc(C(N)=S)c1
InChIInChI=1S/C14H22N2OS/c1-3-4-5-6-7-11(2)17-12-8-9-16-13(10-12)14(15)18/h8-11H,3-7H2,1-2H3,(H2,15,18)
InChIKeyZNQNWOAHDBJKJP-UHFFFAOYSA-N
XLogP3.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pentan-2-yloxypyridine-2-carbothioamide
CID 102981815
2-chloro-4-octan-2-yloxybenzenecarbothioamide
CID 55222917
4-methoxypyridine-2-carbothioamide
CID 62926631
4-[(2R)-1-fluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204612
3-heptan-2-yloxyaniline
CID 91558266
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
decan-2-yloxybenzene
CID 12838331
2,6-difluoro-4-octan-2-yloxybenzoic acid
CID 123753531
1-(3-octan-2-yloxyphenyl)ethanamine
CID 79168344
3-(octan-2-yloxymethyl)pyridine-2-carbothioamide
CID 55128321
4-decoxypyridine-2-carboxylic acid
CID 152529644
2-pentan-2-yloxypyridine-4-carbothioamide
CID 102981810

Frequently Asked Questions

What is the IUPAC name of 4-octan-2-yloxypyridine-2-carbothioamide?
The IUPAC name of 4-octan-2-yloxypyridine-2-carbothioamide (CID 55155513) is 4-octan-2-yloxypyridine-2-carbothioamide.
What is the SMILES notation for 4-octan-2-yloxypyridine-2-carbothioamide?
The canonical SMILES for 4-octan-2-yloxypyridine-2-carbothioamide is CCCCCCC(C)Oc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-octan-2-yloxypyridine-2-carbothioamide?
The InChIKey is ZNQNWOAHDBJKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-4-5-6-7-11(2)17-12-8-9-16-13(10-12)14(15)18/h8-11H,3-7H2,1-2H3,(H2,15,18).
What are the key properties of 4-octan-2-yloxypyridine-2-carbothioamide?
4-octan-2-yloxypyridine-2-carbothioamide has a molecular weight of 266.41 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octan-2-yloxypyridine-2-carbothioamide is sourced from PubChem (CID 55155513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).