4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide

C14H22N2O2S — CID 106447664

IUPAC4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(OCCOCC(C)C)n1
InChIInChI=1S/C14H22N2O2S/c1-9(2)8-17-5-6-18-14-12(13(15)19)10(3)7-11(4)16-14/h7,9H,5-6,8H2,1-4H3,(H2,15,19)
InChIKeyWACZGBBHZAYFDD-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.38
Rot. Bonds7

About 4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide

4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide (PubChem CID 106447664) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
PubChem CID106447664
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(OCCOCC(C)C)n1
InChIInChI=1S/C14H22N2O2S/c1-9(2)8-17-5-6-18-14-12(13(15)19)10(3)7-11(4)16-14/h7,9H,5-6,8H2,1-4H3,(H2,15,19)
InChIKeyWACZGBBHZAYFDD-UHFFFAOYSA-N
XLogP2.38
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-2-octoxypyridine-3-carbothioamide
CID 63519301
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 61177313
2-(cyclopentylmethoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 66323052
4-methyl-3-[2-(2-methylpropoxy)ethoxy]benzenecarbothioamide
CID 107656607
2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562174
2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562382
4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide
CID 61176530
2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 61175190
2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide
CID 114768008
2-(3,5-difluorophenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 62786363
2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 106447668

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide?
The IUPAC name of 4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide (CID 106447664) is 4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide.
What is the SMILES notation for 4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide?
The canonical SMILES for 4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(OCCOCC(C)C)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide?
The InChIKey is WACZGBBHZAYFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9(2)8-17-5-6-18-14-12(13(15)19)10(3)7-11(4)16-14/h7,9H,5-6,8H2,1-4H3,(H2,15,19).
What are the key properties of 4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide?
4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide has a molecular weight of 282.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide is sourced from PubChem (CID 106447664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).