4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide

C13H16N4OS — CID 81346758

IUPAC4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(Oc2cc(C)nn2C)c(C(N)=S)c(C)n1
InChIInChI=1S/C13H16N4OS/c1-7-5-10(12(13(14)19)9(3)15-7)18-11-6-8(2)16-17(11)4/h5-6H,1-4H3,(H2,14,19)
InChIKeyOLSVDBQQTYJVKV-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.17
Rot. Bonds3

About 4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide

4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81346758) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81346758
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(Oc2cc(C)nn2C)c(C(N)=S)c(C)n1
InChIInChI=1S/C13H16N4OS/c1-7-5-10(12(13(14)19)9(3)15-7)18-11-6-8(2)16-17(11)4/h5-6H,1-4H3,(H2,14,19)
InChIKeyOLSVDBQQTYJVKV-UHFFFAOYSA-N
XLogP2.17
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.17
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

2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81346149
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide
CID 107548691
3-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81345906
4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81054224
4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 114903777
4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81346371
2,6-dimethyl-4-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carbothioamide
CID 81054092
4-(3-bromo-5-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81331605
4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
CID 116801309
2,6-dimethyl-4-(4-propylphenoxy)pyridine-3-carbothioamide
CID 81035299
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide
CID 113321067
5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 81345751

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide (CID 81346758) is 4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(Oc2cc(C)nn2C)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is OLSVDBQQTYJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-7-5-10(12(13(14)19)9(3)15-7)18-11-6-8(2)16-17(11)4/h5-6H,1-4H3,(H2,14,19).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide?
4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 276.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81346758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).