3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride

C13H19ClN2OS — CID 123132871

IUPAC3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride
SMILESCl.[H]/N=c1\sc2c(C)cc(C)cc2n1CCOCC
InChIInChI=1S/C13H18N2OS.ClH/c1-4-16-6-5-15-11-8-9(2)7-10(3)12(11)17-13(15)14;/h7-8,14H,4-6H2,1-3H3;1H/b14-13-;
InChIKeyNIWHIJNWIHJXAC-HPWRNOGASA-N
MW286.83 g/mol
LogP3.26
Rot. Bonds4

About 3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride

3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride (PubChem CID 123132871) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride
PubChem CID123132871
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride
SMILESCl.[H]/N=c1\sc2c(C)cc(C)cc2n1CCOCC
InChIInChI=1S/C13H18N2OS.ClH/c1-4-16-6-5-15-11-8-9(2)7-10(3)12(11)17-13(15)14;/h7-8,14H,4-6H2,1-3H3;1H/b14-13-;
InChIKeyNIWHIJNWIHJXAC-HPWRNOGASA-N
XLogP3.26
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride 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

ethyl 2-(2-imino-5,7-dimethyl-1,3-benzothiazol-3-yl)acetate
CID 56724918
3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-imine;4-methylbenzenesulfonic acid
CID 86261725
2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41202345
N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-propan-2-yloxybenzamide
CID 41203294
2-(4-chlorophenoxy)-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
CID 41202829
N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2,5-dimethoxybenzamide
CID 16848926
4-benzylsulfanyl-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]butanamide
CID 121055339
3-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]propanamide
CID 42387912
N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 25408250
4-[bis(2-methoxyethyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 43939489
4-[cyclopropyl(methyl)sulfamoyl]-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41364152
3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-imine;4-methylbenzenesulfonic acid
CID 86261755

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride?
The IUPAC name of 3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride (CID 123132871) is 3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride.
What is the SMILES notation for 3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride?
The canonical SMILES for 3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride is Cl.[H]/N=c1\sc2c(C)cc(C)cc2n1CCOCC.
What is the InChIKey of 3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride?
The InChIKey is NIWHIJNWIHJXAC-HPWRNOGASA-N. The full InChI is InChI=1S/C13H18N2OS.ClH/c1-4-16-6-5-15-11-8-9(2)7-10(3)12(11)17-13(15)14;/h7-8,14H,4-6H2,1-3H3;1H/b14-13-;.
What are the key properties of 3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride?
3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride has a molecular weight of 286.83 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-imine;hydrochloride is sourced from PubChem (CID 123132871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).