6-propan-2-yloxypyridine-3-carbothioamide

C9H12N2OS — CID 24703491

IUPAC6-propan-2-yloxypyridine-3-carbothioamide
SMILESCC(C)Oc1ccc(C(N)=S)cn1
InChIInChI=1S/C9H12N2OS/c1-6(2)12-8-4-3-7(5-11-8)9(10)13/h3-6H,1-2H3,(H2,10,13)
InChIKeyZGIBMBNFHRKDQE-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.50
Rot. Bonds3

About 6-propan-2-yloxypyridine-3-carbothioamide

6-propan-2-yloxypyridine-3-carbothioamide (PubChem CID 24703491) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 6-propan-2-yloxypyridine-3-carbothioamide.

Molecular Properties

Compound Name6-propan-2-yloxypyridine-3-carbothioamide
PubChem CID24703491
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name6-propan-2-yloxypyridine-3-carbothioamide
SMILESCC(C)Oc1ccc(C(N)=S)cn1
InChIInChI=1S/C9H12N2OS/c1-6(2)12-8-4-3-7(5-11-8)9(10)13/h3-6H,1-2H3,(H2,10,13)
InChIKeyZGIBMBNFHRKDQE-UHFFFAOYSA-N
XLogP1.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.50
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-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
CID 106447647
6-(2,2-difluoroethoxy)pyridine-3-carbothioamide
CID 82004872
4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 67256782
2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816
ethane;6-methylpyridine-3-carbothioamide
CID 143699561
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
6-(2-butoxyethoxy)pyridine-3-carbothioamide
CID 29001986
6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide
CID 43369949
6-[methyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 24700897
3-bromo-4-propan-2-yloxybenzenecarbothioamide
CID 82804581
2-(3-methylbutoxy)ethyl 6-propan-2-yloxypyridine-3-carboxylate
CID 60541445
6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide
CID 28933737

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxypyridine-3-carbothioamide?
The IUPAC name of 6-propan-2-yloxypyridine-3-carbothioamide (CID 24703491) is 6-propan-2-yloxypyridine-3-carbothioamide.
What is the SMILES notation for 6-propan-2-yloxypyridine-3-carbothioamide?
The canonical SMILES for 6-propan-2-yloxypyridine-3-carbothioamide is CC(C)Oc1ccc(C(N)=S)cn1.
What is the InChIKey of 6-propan-2-yloxypyridine-3-carbothioamide?
The InChIKey is ZGIBMBNFHRKDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6(2)12-8-4-3-7(5-11-8)9(10)13/h3-6H,1-2H3,(H2,10,13).
What are the key properties of 6-propan-2-yloxypyridine-3-carbothioamide?
6-propan-2-yloxypyridine-3-carbothioamide has a molecular weight of 196.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxypyridine-3-carbothioamide is sourced from PubChem (CID 24703491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).