5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide

C11H12N4OS — CID 113321067

IUPAC5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide
SMILESCc1cc(Oc2ccc(C(N)=S)nc2)n(C)n1
InChIInChI=1S/C11H12N4OS/c1-7-5-10(15(2)14-7)16-8-3-4-9(11(12)17)13-6-8/h3-6H,1-2H3,(H2,12,17)
InChIKeyRNBAGCXZEYBBHM-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.55
Rot. Bonds3

About 5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide

5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide (PubChem CID 113321067) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide
PubChem CID113321067
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide
SMILESCc1cc(Oc2ccc(C(N)=S)nc2)n(C)n1
InChIInChI=1S/C11H12N4OS/c1-7-5-10(15(2)14-7)16-8-3-4-9(11(12)17)13-6-8/h3-6H,1-2H3,(H2,12,17)
InChIKeyRNBAGCXZEYBBHM-UHFFFAOYSA-N
XLogP1.55
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 115491170
4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81346371
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide
CID 107548691
5-(3-methylphenoxy)pyridine-2-carbothioamide
CID 113321030
5-(4-chloro-2-methylphenoxy)pyridine-2-carbothioamide
CID 113321034
3-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81345906
4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 114903777
5-(4-propoxyphenoxy)pyridine-2-carbothioamide
CID 115488868
2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81346149
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346605
4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
CID 81346758
4-(2,5-dimethylpyrazol-3-yl)oxybenzonitrile
CID 81346146

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide (CID 113321067) is 5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide is Cc1cc(Oc2ccc(C(N)=S)nc2)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide?
The InChIKey is RNBAGCXZEYBBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-5-10(15(2)14-7)16-8-3-4-9(11(12)17)13-6-8/h3-6H,1-2H3,(H2,12,17).
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide?
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide has a molecular weight of 248.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide is sourced from PubChem (CID 113321067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).