2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide

C12H17ClN2O2S — CID 62497704

IUPAC2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
SMILESCOCCOCCNc1cccc(Cl)c1C(N)=S
InChIInChI=1S/C12H17ClN2O2S/c1-16-7-8-17-6-5-15-10-4-2-3-9(13)11(10)12(14)18/h2-4,15H,5-8H2,1H3,(H2,14,18)
InChIKeyVWYWXZJBISJMAV-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.05
Rot. Bonds8

About 2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide

2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide (PubChem CID 62497704) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
PubChem CID62497704
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
SMILESCOCCOCCNc1cccc(Cl)c1C(N)=S
InChIInChI=1S/C12H17ClN2O2S/c1-16-7-8-17-6-5-15-10-4-2-3-9(13)11(10)12(14)18/h2-4,15H,5-8H2,1H3,(H2,14,18)
InChIKeyVWYWXZJBISJMAV-UHFFFAOYSA-N
XLogP2.05
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[2-(2-methoxyethoxy)ethylamino]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

2-chloro-6-[2-(3-methylbutoxy)ethylamino]benzenecarbothioamide
CID 55079469
2-chloro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]benzenecarbothioamide
CID 63828669
2-(2-carbamothioyl-3-chloroanilino)ethyl carbamate
CID 83204135
4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81053930
2-chloro-6-[3-(diethylamino)propylamino]benzenecarbothioamide
CID 62501763
2-chloro-6-(5-methylhexylamino)benzenecarbothioamide
CID 113287503
2-chloro-6-(3-phenylpropylamino)benzenecarbothioamide
CID 62495977
2-(2-carbamothioyl-3-chloroanilino)-N,N-dimethylacetamide
CID 62502616
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
2-chloro-6-[(2-chlorophenyl)methylamino]benzenecarbothioamide
CID 62500756
2-chloro-6-[(4-methylphenyl)methylamino]benzenecarbothioamide
CID 62500937
2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide
CID 62496318

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide?
The IUPAC name of 2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide (CID 62497704) is 2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide.
What is the SMILES notation for 2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide?
The canonical SMILES for 2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide is COCCOCCNc1cccc(Cl)c1C(N)=S.
What is the InChIKey of 2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide?
The InChIKey is VWYWXZJBISJMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-16-7-8-17-6-5-15-10-4-2-3-9(13)11(10)12(14)18/h2-4,15H,5-8H2,1H3,(H2,14,18).
What are the key properties of 2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide?
2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide has a molecular weight of 288.80 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide is sourced from PubChem (CID 62497704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).