4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide

C14H22N2OS — CID 43290637

IUPAC4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide
SMILESCCCN(CC)CCOc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H22N2OS/c1-3-9-16(4-2)10-11-17-13-7-5-12(6-8-13)14(15)18/h5-8H,3-4,9-11H2,1-2H3,(H2,15,18)
InChIKeyUHQVXFRVSAXCSF-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.43
Rot. Bonds8

About 4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide

4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide (PubChem CID 43290637) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide.

Molecular Properties

Compound Name4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide
PubChem CID43290637
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide
SMILESCCCN(CC)CCOc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H22N2OS/c1-3-9-16(4-2)10-11-17-13-7-5-12(6-8-13)14(15)18/h5-8H,3-4,9-11H2,1-2H3,(H2,15,18)
InChIKeyUHQVXFRVSAXCSF-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[ethyl(propyl)amino]ethoxy]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-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
4-[2-[methyl(propyl)amino]ethoxy]benzenecarbothioamide
CID 43290676
4-[2-[ethyl(2-ethylbutyl)amino]ethoxy]benzenecarbothioamide
CID 61436777
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide
CID 61448339
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 61427149
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
2-[4-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]phenyl]ethanethioamide
CID 54879731
2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide
CID 43268912
2-[ethyl-[2-(4-propoxyphenoxy)ethyl]amino]ethanol
CID 60685463
4-(4-propoxyanilino)benzenecarbothioamide
CID 62327993
4-(3-pentoxypropoxy)benzenecarbothioamide
CID 43291486

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide?
The IUPAC name of 4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide (CID 43290637) is 4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide.
What is the SMILES notation for 4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide?
The canonical SMILES for 4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide is CCCN(CC)CCOc1ccc(C(N)=S)cc1.
What is the InChIKey of 4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide?
The InChIKey is UHQVXFRVSAXCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-9-16(4-2)10-11-17-13-7-5-12(6-8-13)14(15)18/h5-8H,3-4,9-11H2,1-2H3,(H2,15,18).
What are the key properties of 4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide?
4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide has a molecular weight of 266.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide is sourced from PubChem (CID 43290637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).