4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide

C15H24N2O3S — CID 61448339

IUPAC4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide
SMILESCCN(CCOC)CC(O)COc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-17(8-9-19-2)10-13(18)11-20-14-6-4-12(5-7-14)15(16)21/h4-7,13,18H,3,8-11H2,1-2H3,(H2,16,21)
InChIKeyFVJLVBBDMAUMLB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.03
Rot. Bonds10

About 4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide

4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide (PubChem CID 61448339) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide.

Molecular Properties

Compound Name4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide
PubChem CID61448339
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide
SMILESCCN(CCOC)CC(O)COc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-17(8-9-19-2)10-13(18)11-20-14-6-4-12(5-7-14)15(16)21/h4-7,13,18H,3,8-11H2,1-2H3,(H2,16,21)
InChIKeyFVJLVBBDMAUMLB-UHFFFAOYSA-N
XLogP1.03
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]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-[ethyl(2-ethylbutyl)amino]ethoxy]benzenecarbothioamide
CID 61436777
4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide
CID 43290637
3-[3-[butyl(ethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide
CID 43290330
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 61427149
(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 95285904
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
4-[2-[ethyl(propyl)amino]-1-hydroxyethyl]benzenecarbothioamide
CID 43290632
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556

Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide?
The IUPAC name of 4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide (CID 61448339) is 4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide.
What is the SMILES notation for 4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide?
The canonical SMILES for 4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide is CCN(CCOC)CC(O)COc1ccc(C(N)=S)cc1.
What is the InChIKey of 4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide?
The InChIKey is FVJLVBBDMAUMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-17(8-9-19-2)10-13(18)11-20-14-6-4-12(5-7-14)15(16)21/h4-7,13,18H,3,8-11H2,1-2H3,(H2,16,21).
What are the key properties of 4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide?
4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide has a molecular weight of 312.44 g/mol, XLogP of 1.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethyl(2-methoxyethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide is sourced from PubChem (CID 61448339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).