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

C12H16N2OS2 — CID 113484222

IUPAC4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCC(C)S(C)=O)nc12
InChIInChI=1S/C12H16N2OS2/c1-8-5-4-6-10-11(8)14-12(16-10)13-7-9(2)17(3)15/h4-6,9H,7H2,1-3H3,(H,13,14)
InChIKeyJVGNDOCMLCPLKM-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.78
Rot. Bonds4

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

4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine (PubChem CID 113484222) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
PubChem CID113484222
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC Name4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCC(C)S(C)=O)nc12
InChIInChI=1S/C12H16N2OS2/c1-8-5-4-6-10-11(8)14-12(16-10)13-7-9(2)17(3)15/h4-6,9H,7H2,1-3H3,(H,13,14)
InChIKeyJVGNDOCMLCPLKM-UHFFFAOYSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906850
N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146599
N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 113494989
4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine
CID 115764279
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,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide
CID 79146934
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79146680
N'-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106049330
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147272
4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79146503
N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146937

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine (CID 113484222) is 4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine is Cc1cccc2sc(NCC(C)S(C)=O)nc12.
What is the InChIKey of 4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine?
The InChIKey is JVGNDOCMLCPLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-8-5-4-6-10-11(8)14-12(16-10)13-7-9(2)17(3)15/h4-6,9H,7H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine?
4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 2.78, 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-methylsulfinylpropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 113484222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).