4-pentan-2-yloxypyridine-2-carbothioamide

C11H16N2OS — CID 102981815

IUPAC4-pentan-2-yloxypyridine-2-carbothioamide
SMILESCCCC(C)Oc1ccnc(C(N)=S)c1
InChIInChI=1S/C11H16N2OS/c1-3-4-8(2)14-9-5-6-13-10(7-9)11(12)15/h5-8H,3-4H2,1-2H3,(H2,12,15)
InChIKeyVPYIGMDVOYZINO-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.28
Rot. Bonds5

About 4-pentan-2-yloxypyridine-2-carbothioamide

4-pentan-2-yloxypyridine-2-carbothioamide (PubChem CID 102981815) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-pentan-2-yloxypyridine-2-carbothioamide.

Molecular Properties

Compound Name4-pentan-2-yloxypyridine-2-carbothioamide
PubChem CID102981815
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-pentan-2-yloxypyridine-2-carbothioamide
SMILESCCCC(C)Oc1ccnc(C(N)=S)c1
InChIInChI=1S/C11H16N2OS/c1-3-4-8(2)14-9-5-6-13-10(7-9)11(12)15/h5-8H,3-4H2,1-2H3,(H2,12,15)
InChIKeyVPYIGMDVOYZINO-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-pentan-2-yloxypyridine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-octan-2-yloxypyridine-2-carbothioamide
CID 55155513
2-pentan-2-yloxypyridine-4-carbothioamide
CID 102981810
4-methoxypyridine-2-carbothioamide
CID 62926631
4-[(2R)-1-fluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204612
4-butan-2-yloxypyridine-2-carboxylic acid
CID 60903768
4-(4-methoxyphenoxy)pyridine-2-carbothioamide
CID 62924380
4-(hexan-2-ylamino)pyridine-2-carbothioamide
CID 62924886
4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide
CID 116801295
4-(3-methoxyphenoxy)pyridine-2-carbothioamide
CID 62925939
4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
CID 62927129
4-propylsulfanylpyridine-2-carbothioamide
CID 3001426
2-pentan-2-yloxypyrimidine-4-carboxylic acid
CID 107555052

Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-yloxypyridine-2-carbothioamide?
The IUPAC name of 4-pentan-2-yloxypyridine-2-carbothioamide (CID 102981815) is 4-pentan-2-yloxypyridine-2-carbothioamide.
What is the SMILES notation for 4-pentan-2-yloxypyridine-2-carbothioamide?
The canonical SMILES for 4-pentan-2-yloxypyridine-2-carbothioamide is CCCC(C)Oc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-pentan-2-yloxypyridine-2-carbothioamide?
The InChIKey is VPYIGMDVOYZINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-4-8(2)14-9-5-6-13-10(7-9)11(12)15/h5-8H,3-4H2,1-2H3,(H2,12,15).
What are the key properties of 4-pentan-2-yloxypyridine-2-carbothioamide?
4-pentan-2-yloxypyridine-2-carbothioamide has a molecular weight of 224.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-2-yloxypyridine-2-carbothioamide is sourced from PubChem (CID 102981815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).