2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide

C15H15ClN2OS — CID 61175190

IUPAC2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(OCc2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN2OS/c1-9-7-10(2)18-15(13(9)14(17)20)19-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H2,17,20)
InChIKeyAOIHDPBUNZAHTO-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.57
Rot. Bonds4

About 2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide

2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide (PubChem CID 61175190) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide
PubChem CID61175190
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(OCc2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN2OS/c1-9-7-10(2)18-15(13(9)14(17)20)19-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H2,17,20)
InChIKeyAOIHDPBUNZAHTO-UHFFFAOYSA-N
XLogP3.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.57
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-(2-chloro-5-methylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176913
4-[(2-chlorophenyl)methoxy]-2-methylbenzenecarbothioamide
CID 81277624
2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
CID 62496881
2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 82824229
4,6-dimethyl-2-octoxypyridine-3-carbothioamide
CID 63519301
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 63518405
2-(cyclopentylmethoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 66323052
2-(2,3-dimethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176715
4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
CID 106447664
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131
2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide
CID 107550871
2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176908

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide (CID 61175190) is 2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(OCc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide?
The InChIKey is AOIHDPBUNZAHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-9-7-10(2)18-15(13(9)14(17)20)19-8-11-5-3-4-6-12(11)16/h3-7H,8H2,1-2H3,(H2,17,20).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide?
2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide has a molecular weight of 306.82 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 61175190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).