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

C11H14N2S2 — CID 79147292

IUPAC4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
SMILESCSCCNc1nc2c(C)cccc2s1
InChIInChI=1S/C11H14N2S2/c1-8-4-3-5-9-10(8)13-11(15-9)12-6-7-14-2/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyDYVVDYPSKJHVHX-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.38
Rot. Bonds4

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

4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine (PubChem CID 79147292) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
PubChem CID79147292
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
SMILESCSCCNc1nc2c(C)cccc2s1
InChIInChI=1S/C11H14N2S2/c1-8-4-3-5-9-10(8)13-11(15-9)12-6-7-14-2/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyDYVVDYPSKJHVHX-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid
CID 82192935
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79146680
N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 113494989
N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 79130673
N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146937
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906850
N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146693
N'-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106049330
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79147368
N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide
CID 79146934
N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146599
4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113484222

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine (CID 79147292) is 4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine is CSCCNc1nc2c(C)cccc2s1.
What is the InChIKey of 4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is DYVVDYPSKJHVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-8-4-3-5-9-10(8)13-11(15-9)12-6-7-14-2/h3-5H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine?
4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 238.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79147292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).