4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide

C14H19F3N2OS — CID 63691278

IUPAC4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
SMILESCCOCCN(CC)c1ccc(C(N)=S)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2OS/c1-3-19(7-8-20-4-2)10-5-6-11(13(18)21)12(9-10)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,21)
InChIKeyFRKMSZUEOCBZJE-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.20
Rot. Bonds7

About 4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide

4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide (PubChem CID 63691278) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide.

Molecular Properties

Compound Name4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
PubChem CID63691278
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
SMILESCCOCCN(CC)c1ccc(C(N)=S)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2OS/c1-3-19(7-8-20-4-2)10-5-6-11(13(18)21)12(9-10)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,21)
InChIKeyFRKMSZUEOCBZJE-UHFFFAOYSA-N
XLogP3.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 79379754
4-[bis(2-hydroxyethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 61234313
4-(2-ethoxyethoxy)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320848
4-[2-hydroxyethyl(propyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 61425931
4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide
CID 114900716
4-[propan-2-yl(propyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 43269752
4-[2-methoxyethyl(propan-2-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 82938869
4-[butan-2-yl(methyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 43273130
2-bromo-4-[2-ethoxyethyl(ethyl)amino]-3-fluorobenzenecarbothioamide
CID 107535123
4-[butyl(cyclopropyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 61443340
1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63696479
2-[bis(2-ethoxyethyl)amino]-5-fluorobenzenecarbothioamide
CID 82960423

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide?
The IUPAC name of 4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide (CID 63691278) is 4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide.
What is the SMILES notation for 4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide?
The canonical SMILES for 4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide is CCOCCN(CC)c1ccc(C(N)=S)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide?
The InChIKey is FRKMSZUEOCBZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-3-19(7-8-20-4-2)10-5-6-11(13(18)21)12(9-10)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,21).
What are the key properties of 4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide?
4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide has a molecular weight of 320.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide is sourced from PubChem (CID 63691278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).