4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide

C17H20N2OS — CID 61176530

IUPAC4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(Oc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H20N2OS/c1-10(2)13-5-7-14(8-6-13)20-17-15(16(18)21)11(3)9-12(4)19-17/h5-10H,1-4H3,(H2,18,21)
InChIKeyDWRANLPCTYNQRF-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.25
Rot. Bonds4

About 4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide

4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide (PubChem CID 61176530) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide
PubChem CID61176530
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(Oc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H20N2OS/c1-10(2)13-5-7-14(8-6-13)20-17-15(16(18)21)11(3)9-12(4)19-17/h5-10H,1-4H3,(H2,18,21)
InChIKeyDWRANLPCTYNQRF-UHFFFAOYSA-N
XLogP4.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.25
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

2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176908
2-[4-(2-hydroxyethyl)phenoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 107708866
2-(3,5-difluorophenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 62786363
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 63518405
2-(2-chloro-5-methylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176913
2-(2,3-dimethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176715
3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine
CID 63446366
4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
CID 106447664
N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 77003380
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61228172
2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 61175190
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide?
The IUPAC name of 4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide (CID 61176530) is 4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide.
What is the SMILES notation for 4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide?
The canonical SMILES for 4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(Oc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide?
The InChIKey is DWRANLPCTYNQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-10(2)13-5-7-14(8-6-13)20-17-15(16(18)21)11(3)9-12(4)19-17/h5-10H,1-4H3,(H2,18,21).
What are the key properties of 4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide?
4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide has a molecular weight of 300.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide is sourced from PubChem (CID 61176530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).