6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide

C15H16N2OS — CID 82453144

IUPAC6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
SMILESCCOc1ccc(-c2ccc(C(N)=S)c(C)n2)cc1
InChIInChI=1S/C15H16N2OS/c1-3-18-12-6-4-11(5-7-12)14-9-8-13(15(16)19)10(2)17-14/h4-9H,3H2,1-2H3,(H2,16,19)
InChIKeySJGHTWXMBXGEEQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.09
Rot. Bonds4

About 6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide

6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide (PubChem CID 82453144) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
PubChem CID82453144
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
SMILESCCOc1ccc(-c2ccc(C(N)=S)c(C)n2)cc1
InChIInChI=1S/C15H16N2OS/c1-3-18-12-6-4-11(5-7-12)14-9-8-13(15(16)19)10(2)17-14/h4-9H,3H2,1-2H3,(H2,16,19)
InChIKeySJGHTWXMBXGEEQ-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.09
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

6-(3-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
CID 82453002
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine
CID 82453135
4-(4-ethoxyphenoxy)-2-methylbenzenecarbothioamide
CID 81277177
N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82453137
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012
6-(4-ethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203548
6-(4-ethoxyphenyl)pyridin-3-amine
CID 79018845
2-methyl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbohydrazide
CID 82453181
3,5-bis(4-ethoxyphenyl)-1,2,4-triazine
CID 154146425
sodium 6-(4-methoxyphenyl)-2-methylpyridine-3-carboxylate
CID 155928034
(2S)-1-amino-3-[4-(4-ethoxyphenyl)triazol-1-yl]propan-2-ol
CID 156767774

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide?
The IUPAC name of 6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide (CID 82453144) is 6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide is CCOc1ccc(-c2ccc(C(N)=S)c(C)n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide?
The InChIKey is SJGHTWXMBXGEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-18-12-6-4-11(5-7-12)14-9-8-13(15(16)19)10(2)17-14/h4-9H,3H2,1-2H3,(H2,16,19).
What are the key properties of 6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide?
6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide has a molecular weight of 272.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide is sourced from PubChem (CID 82453144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).