4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine

C12H16N2S — CID 167162170

IUPAC4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(C(C)(C)C)c2nc(N)sc12
InChIInChI=1S/C12H16N2S/c1-7-5-6-8(12(2,3)4)9-10(7)15-11(13)14-9/h5-6H,1-4H3,(H2,13,14)
InChIKeyJMFHUPQPSFUIPT-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.48
Rot. Bonds

About 4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine

4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine (PubChem CID 167162170) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine
PubChem CID167162170
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(C(C)(C)C)c2nc(N)sc12
InChIInChI=1S/C12H16N2S/c1-7-5-6-8(12(2,3)4)9-10(7)15-11(13)14-9/h5-6H,1-4H3,(H2,13,14)
InChIKeyJMFHUPQPSFUIPT-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine (CID 167162170) is 4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine is Cc1ccc(C(C)(C)C)c2nc(N)sc12.
What is the InChIKey of 4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine?
The InChIKey is JMFHUPQPSFUIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-7-5-6-8(12(2,3)4)9-10(7)15-11(13)14-9/h5-6H,1-4H3,(H2,13,14).
What are the key properties of 4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine?
4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 167162170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).