2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide

C13H19ClN2O2S — CID 62496660

IUPAC2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide
SMILESCOCCN(CCOC)c1cccc(Cl)c1C(N)=S
InChIInChI=1S/C13H19ClN2O2S/c1-17-8-6-16(7-9-18-2)11-5-3-4-10(14)12(11)13(15)19/h3-5H,6-9H2,1-2H3,(H2,15,19)
InChIKeyUVYVXCWFCRAALC-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.07
Rot. Bonds8

About 2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide

2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide (PubChem CID 62496660) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide
PubChem CID62496660
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide
SMILESCOCCN(CCOC)c1cccc(Cl)c1C(N)=S
InChIInChI=1S/C13H19ClN2O2S/c1-17-8-6-16(7-9-18-2)11-5-3-4-10(14)12(11)13(15)19/h3-5H,6-9H2,1-2H3,(H2,15,19)
InChIKeyUVYVXCWFCRAALC-UHFFFAOYSA-N
XLogP2.07
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide 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

2-chloro-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 62496690
2-[butyl(ethyl)amino]-6-chlorobenzenecarbothioamide
CID 62500932
methyl 3-[3-bromo-2-carbamothioyl-N-(2-methoxyethyl)anilino]propanoate
CID 114882615
ethyl 2-(2-carbamothioyl-3-chloro-N-ethylanilino)acetate
CID 62496013
2-[butyl(methyl)amino]-6-chlorobenzenecarbothioamide
CID 62500759
2-chloro-6-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 62497153
2-(2-carbamothioyl-3-chloro-N-propylanilino)-N-methylacetamide
CID 62496849
2-chloro-6-[methyl(3-methylbutyl)amino]benzenecarbothioamide
CID 62495818
3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418447
2-[bis(2-ethoxyethyl)amino]-6-fluorobenzenecarbothioamide
CID 82960777
2-chloro-N-ethyl-N-(2-methoxyethyl)aniline
CID 139729852
2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786522

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide (CID 62496660) is 2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide is COCCN(CCOC)c1cccc(Cl)c1C(N)=S.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide?
The InChIKey is UVYVXCWFCRAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-17-8-6-16(7-9-18-2)11-5-3-4-10(14)12(11)13(15)19/h3-5H,6-9H2,1-2H3,(H2,15,19).
What are the key properties of 2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide?
2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide has a molecular weight of 302.83 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide is sourced from PubChem (CID 62496660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).