2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide

C15H15BrN2OS — CID 107278448

IUPAC2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide
SMILESCCc1nc(C)ccc1Oc1ccc(C(N)=S)c(Br)c1
InChIInChI=1S/C15H15BrN2OS/c1-3-13-14(7-4-9(2)18-13)19-10-5-6-11(15(17)20)12(16)8-10/h4-8H,3H2,1-2H3,(H2,17,20)
InChIKeyQROSSPANXSAXPZ-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.14
Rot. Bonds4

About 2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide

2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide (PubChem CID 107278448) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide.

Molecular Properties

Compound Name2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide
PubChem CID107278448
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide
SMILESCCc1nc(C)ccc1Oc1ccc(C(N)=S)c(Br)c1
InChIInChI=1S/C15H15BrN2OS/c1-3-13-14(7-4-9(2)18-13)19-10-5-6-11(15(17)20)12(16)8-10/h4-8H,3H2,1-2H3,(H2,17,20)
InChIKeyQROSSPANXSAXPZ-UHFFFAOYSA-N
XLogP4.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.14
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-amino-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103175349
2-bromo-4-(2-chloro-4-methylphenoxy)benzenecarbothioamide
CID 107278376
2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174828
2-bromo-4-(3,4-dimethylphenoxy)benzenecarbothioamide
CID 107278286
2-bromo-4-(2-methylbutan-2-yloxy)benzenecarbothioamide
CID 107278327
2-bromo-4-naphthalen-2-yloxybenzenecarbothioamide
CID 107278297
2-bromo-4-(3,4-dichlorophenoxy)benzenecarbothioamide
CID 107278354
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarbothioamide
CID 107278307
2-bromo-4-(4-chloro-3,5-dimethylphenoxy)benzenecarbothioamide
CID 107278341
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline
CID 103174413
2-bromo-4-(4-butylphenoxy)benzenecarbothioamide
CID 107278415
2-bromo-4-(3-methoxyphenoxy)benzenecarbothioamide
CID 107278279

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide?
The IUPAC name of 2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide (CID 107278448) is 2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide.
What is the SMILES notation for 2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide?
The canonical SMILES for 2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide is CCc1nc(C)ccc1Oc1ccc(C(N)=S)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide?
The InChIKey is QROSSPANXSAXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-3-13-14(7-4-9(2)18-13)19-10-5-6-11(15(17)20)12(16)8-10/h4-8H,3H2,1-2H3,(H2,17,20).
What are the key properties of 2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide?
2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide has a molecular weight of 351.27 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide is sourced from PubChem (CID 107278448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).