6-butan-2-yloxypyridine-2-carbothioamide

C10H14N2OS — CID 64594535

IUPAC6-butan-2-yloxypyridine-2-carbothioamide
SMILESCCC(C)Oc1cccc(C(N)=S)n1
InChIInChI=1S/C10H14N2OS/c1-3-7(2)13-9-6-4-5-8(12-9)10(11)14/h4-7H,3H2,1-2H3,(H2,11,14)
InChIKeySCNXMGZUUTZMCI-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.89
Rot. Bonds4

About 6-butan-2-yloxypyridine-2-carbothioamide

6-butan-2-yloxypyridine-2-carbothioamide (PubChem CID 64594535) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-butan-2-yloxypyridine-2-carbothioamide.

Molecular Properties

Compound Name6-butan-2-yloxypyridine-2-carbothioamide
PubChem CID64594535
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name6-butan-2-yloxypyridine-2-carbothioamide
SMILESCCC(C)Oc1cccc(C(N)=S)n1
InChIInChI=1S/C10H14N2OS/c1-3-7(2)13-9-6-4-5-8(12-9)10(11)14/h4-7H,3H2,1-2H3,(H2,11,14)
InChIKeySCNXMGZUUTZMCI-UHFFFAOYSA-N
XLogP1.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.89
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-ethylpyridine-2-carbothioamide
CID 119094579
3-butan-2-yloxybenzenecarbothioamide
CID 43209213
6-(1-ethoxypropan-2-yloxy)pyridine-2-carboxylic acid
CID 103487111
6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide
CID 64589022
6-(2-methylphenoxy)pyridine-2-carbothioamide
CID 64596092
6-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
CID 64589442
ethyl 2-[(6-carbamothioyl-2-pyridinyl)amino]propanoate
CID 64589637
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
6-(diethylamino)pyridine-2-carbothioamide
CID 64587426
6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide
CID 64593563
6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
CID 104761801
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide
CID 81342313

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxypyridine-2-carbothioamide?
The IUPAC name of 6-butan-2-yloxypyridine-2-carbothioamide (CID 64594535) is 6-butan-2-yloxypyridine-2-carbothioamide.
What is the SMILES notation for 6-butan-2-yloxypyridine-2-carbothioamide?
The canonical SMILES for 6-butan-2-yloxypyridine-2-carbothioamide is CCC(C)Oc1cccc(C(N)=S)n1.
What is the InChIKey of 6-butan-2-yloxypyridine-2-carbothioamide?
The InChIKey is SCNXMGZUUTZMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-7(2)13-9-6-4-5-8(12-9)10(11)14/h4-7H,3H2,1-2H3,(H2,11,14).
What are the key properties of 6-butan-2-yloxypyridine-2-carbothioamide?
6-butan-2-yloxypyridine-2-carbothioamide has a molecular weight of 210.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxypyridine-2-carbothioamide is sourced from PubChem (CID 64594535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).