4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide

C13H16N4OS — CID 116801309

IUPAC4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
SMILESCCn1cc(Oc2cc(C)nc(C)c2C(N)=S)cn1
InChIInChI=1S/C13H16N4OS/c1-4-17-7-10(6-15-17)18-11-5-8(2)16-9(3)12(11)13(14)19/h5-7H,4H2,1-3H3,(H2,14,19)
InChIKeyONSHASBQBJZNFW-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.34
Rot. Bonds4

About 4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide

4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 116801309) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
PubChem CID116801309
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
SMILESCCn1cc(Oc2cc(C)nc(C)c2C(N)=S)cn1
InChIInChI=1S/C13H16N4OS/c1-4-17-7-10(6-15-17)18-11-5-8(2)16-9(3)12(11)13(14)19/h5-7H,4H2,1-3H3,(H2,14,19)
InChIKeyONSHASBQBJZNFW-UHFFFAOYSA-N
XLogP2.34
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.34
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

2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid
CID 116803994
2,6-dimethyl-4-(4-propylphenoxy)pyridine-3-carbothioamide
CID 81035299
2-(1-ethylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarbothioamide
CID 116801312
3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide
CID 116801318
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 116801421
4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81054224
4-(2,5-dimethylpyrazol-3-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
CID 81346758
4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide
CID 116801295
4-(3-bromo-5-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81331605
5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine
CID 116802686
2,6-dimethyl-4-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carbothioamide
CID 81054092
2-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 116801325

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide (CID 116801309) is 4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide is CCn1cc(Oc2cc(C)nc(C)c2C(N)=S)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is ONSHASBQBJZNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-4-17-7-10(6-15-17)18-11-5-8(2)16-9(3)12(11)13(14)19/h5-7H,4H2,1-3H3,(H2,14,19).
What are the key properties of 4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide?
4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 276.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 116801309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).