N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine

C12H16N2OS2 — CID 113494989

IUPACN-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCCS(=O)CCNc1nc2c(C)cccc2s1
InChIInChI=1S/C12H16N2OS2/c1-3-17(15)8-7-13-12-14-11-9(2)5-4-6-10(11)16-12/h4-6H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyZGBBWWXRJWRXJF-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.79
Rot. Bonds5

About N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine

N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 113494989) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID113494989
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCCS(=O)CCNc1nc2c(C)cccc2s1
InChIInChI=1S/C12H16N2OS2/c1-3-17(15)8-7-13-12-14-11-9(2)5-4-6-10(11)16-12/h4-6H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyZGBBWWXRJWRXJF-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine 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

3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid
CID 82192935
4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
CID 79147292
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79146680
4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113484222
N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146937
N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 79130673
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147272
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906850
N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide
CID 79146934
N'-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106049330
N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146693
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79147368

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine (CID 113494989) is N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine is CCS(=O)CCNc1nc2c(C)cccc2s1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is ZGBBWWXRJWRXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-3-17(15)8-7-13-12-14-11-9(2)5-4-6-10(11)16-12/h4-6H,3,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine?
N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 113494989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).