2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide

C14H22N2O2S — CID 55005297

IUPAC2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
SMILESCOCCN(c1ccccc1C(N)=S)C(C)COC
InChIInChI=1S/C14H22N2O2S/c1-11(10-18-3)16(8-9-17-2)13-7-5-4-6-12(13)14(15)19/h4-7,11H,8-10H2,1-3H3,(H2,15,19)
InChIKeyMRCITYVTQPZZFF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.81
Rot. Bonds8

About 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide

2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide (PubChem CID 55005297) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
PubChem CID55005297
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
SMILESCOCCN(c1ccccc1C(N)=S)C(C)COC
InChIInChI=1S/C14H22N2O2S/c1-11(10-18-3)16(8-9-17-2)13-7-5-4-6-12(13)14(15)19/h4-7,11H,8-10H2,1-3H3,(H2,15,19)
InChIKeyMRCITYVTQPZZFF-UHFFFAOYSA-N
XLogP1.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]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

1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one
CID 115994582
2-chloro-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 62496690
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381
2-(1-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 115995066
1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677386
2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide
CID 62302115
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 104540169
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547062
2-[(1S)-1-aminoethyl]-3-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 78935533
2-[bis(2-ethoxyethyl)amino]benzenecarbothioamide
CID 82966083

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide?
The IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide (CID 55005297) is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide.
What is the SMILES notation for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide?
The canonical SMILES for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide is COCCN(c1ccccc1C(N)=S)C(C)COC.
What is the InChIKey of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide?
The InChIKey is MRCITYVTQPZZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(10-18-3)16(8-9-17-2)13-7-5-4-6-12(13)14(15)19/h4-7,11H,8-10H2,1-3H3,(H2,15,19).
What are the key properties of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide?
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide has a molecular weight of 282.41 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide is sourced from PubChem (CID 55005297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).