2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol

C13H13NOS2 — CID 139314965

IUPAC2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol
SMILESCN(CCO)c1ccc2c(c1)sc1ccsc12
InChIInChI=1S/C13H13NOS2/c1-14(5-6-15)9-2-3-10-12(8-9)17-11-4-7-16-13(10)11/h2-4,7-8,15H,5-6H2,1H3
InChIKeyCYHCTMSNKYMKDE-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.54
Rot. Bonds3

About 2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol

2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol (PubChem CID 139314965) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol
PubChem CID139314965
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC Name2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol
SMILESCN(CCO)c1ccc2c(c1)sc1ccsc12
InChIInChI=1S/C13H13NOS2/c1-14(5-6-15)9-2-3-10-12(8-9)17-11-4-7-16-13(10)11/h2-4,7-8,15H,5-6H2,1H3
InChIKeyCYHCTMSNKYMKDE-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol 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-[1-benzothiophen-6-yl(methyl)amino]ethanol
CID 139315123
thieno[3,2-b][1]benzothiole
CID 605457
2-(4-bromo-N,3-dimethylanilino)ethanol
CID 82117999
6-[2-hydroxyethyl(pentyl)amino]thieno[3,2-b][1]benzothiole-2-carbaldehyde
CID 139380363
2-[(6-bromonaphthalen-2-yl)-methylamino]ethanol
CID 132597175
2-[1,3-benzodioxol-5-yl(methyl)amino]ethanol
CID 82112129
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
3,16-dimethyl-5,9,14,19,23-pentathiaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2(13),3,6(10),7,11,15,17(24),18(22),20-decaene
CID 58463259
ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
CID 144692969
3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide
CID 67340695
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 62944238

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol?
The IUPAC name of 2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol (CID 139314965) is 2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol?
The canonical SMILES for 2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol is CN(CCO)c1ccc2c(c1)sc1ccsc12.
What is the InChIKey of 2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol?
The InChIKey is CYHCTMSNKYMKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c1-14(5-6-15)9-2-3-10-12(8-9)17-11-4-7-16-13(10)11/h2-4,7-8,15H,5-6H2,1H3.
What are the key properties of 2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol?
2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol has a molecular weight of 263.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thieno[3,2-b][1]benzothiol-6-yl)amino]ethanol is sourced from PubChem (CID 139314965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).