6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine

C13H18N2S2 — CID 79142263

IUPAC6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
SMILESCSCC(C)CNc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H18N2S2/c1-9-4-5-11-12(6-9)17-13(15-11)14-7-10(2)8-16-3/h4-6,10H,7-8H2,1-3H3,(H,14,15)
InChIKeyICHLCPPZSMYHNX-UHFFFAOYSA-N
MW266.44 g/mol
LogP4.02
Rot. Bonds5

About 6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine

6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine (PubChem CID 79142263) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is 6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
PubChem CID79142263
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Name6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
SMILESCSCC(C)CNc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H18N2S2/c1-9-4-5-11-12(6-9)17-13(15-11)14-7-10(2)8-16-3/h4-6,10H,7-8H2,1-3H3,(H,14,15)
InChIKeyICHLCPPZSMYHNX-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79518600
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906848
5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 63958238
6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142262
N-(2-methyl-3-methylsulfanylpropyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63958665
N'-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79142175
6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
CID 79143974
6-methyl-N-(3-phenylbutyl)-1,3-benzothiazol-2-amine
CID 79126739
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143180
N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)butane-1,4-diamine
CID 79142843

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine (CID 79142263) is 6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine is CSCC(C)CNc1nc2ccc(C)cc2s1.
What is the InChIKey of 6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
The InChIKey is ICHLCPPZSMYHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-9-4-5-11-12(6-9)17-13(15-11)14-7-10(2)8-16-3/h4-6,10H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine has a molecular weight of 266.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).