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

C16H24N2S — CID 102906848

IUPAC6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCC(C(C)C)C(C)C)sc2c1
InChIInChI=1S/C16H24N2S/c1-10(2)13(11(3)4)9-17-16-18-14-7-6-12(5)8-15(14)19-16/h6-8,10-11,13H,9H2,1-5H3,(H,17,18)
InChIKeyIWYKWMVOGIGARW-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.94
Rot. Bonds5

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

6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine (PubChem CID 102906848) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
PubChem CID102906848
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCC(C(C)C)C(C)C)sc2c1
InChIInChI=1S/C16H24N2S/c1-10(2)13(11(3)4)9-17-16-18-14-7-6-12(5)8-15(14)19-16/h6-8,10-11,13H,9H2,1-5H3,(H,17,18)
InChIKeyIWYKWMVOGIGARW-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142263
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
N'-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79142175
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-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144067
N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143180
6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142262
N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)butane-1,4-diamine
CID 79142843
6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
CID 79143974

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine (CID 102906848) is 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine is Cc1ccc2nc(NCC(C(C)C)C(C)C)sc2c1.
What is the InChIKey of 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine?
The InChIKey is IWYKWMVOGIGARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-10(2)13(11(3)4)9-17-16-18-14-7-6-12(5)8-15(14)19-16/h6-8,10-11,13H,9H2,1-5H3,(H,17,18).
What are the key properties of 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine?
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine has a molecular weight of 276.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 102906848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).