6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine

C12H16N2S — CID 89039662

IUPAC6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine
SMILESCCC(C)c1ccc2nc(NC)sc2c1
InChIInChI=1S/C12H16N2S/c1-4-8(2)9-5-6-10-11(7-9)15-12(13-3)14-10/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyNDAPJNSJURAELM-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.85
Rot. Bonds3

About 6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine

6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 89039662) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine
PubChem CID89039662
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine
SMILESCCC(C)c1ccc2nc(NC)sc2c1
InChIInChI=1S/C12H16N2S/c1-4-8(2)9-5-6-10-11(7-9)15-12(13-3)14-10/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyNDAPJNSJURAELM-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[6-[(2S)-butan-2-yl]-1,3-benzothiazol-2-yl]-2-chloropropanamide
CID 28662068
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 53269216
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 53269170
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 53269183
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 53269191
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide
CID 53269109
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
2-(2-bromo-4-ethylphenoxy)-N-(6-butan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 53269143
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(6-butan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 53269114
N'-(6-propan-2-yl-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191676
6-butan-2-yl-N,2,3-trimethylquinolin-4-amine
CID 55196536
6-butan-2-yl-N,2-dimethylquinolin-4-amine
CID 62195936

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine (CID 89039662) is 6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine is CCC(C)c1ccc2nc(NC)sc2c1.
What is the InChIKey of 6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is NDAPJNSJURAELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-4-8(2)9-5-6-10-11(7-9)15-12(13-3)14-10/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine?
6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89039662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).