(2-tert-butyl-1,3-benzothiazol-5-yl)methanamine

C12H16N2S — CID 82286426

IUPAC(2-tert-butyl-1,3-benzothiazol-5-yl)methanamine
SMILESCC(C)(C)c1nc2cc(CN)ccc2s1
InChIInChI=1S/C12H16N2S/c1-12(2,3)11-14-9-6-8(7-13)4-5-10(9)15-11/h4-6H,7,13H2,1-3H3
InChIKeyHDLIFXKIFBLTPC-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.05
Rot. Bonds1

About (2-tert-butyl-1,3-benzothiazol-5-yl)methanamine

(2-tert-butyl-1,3-benzothiazol-5-yl)methanamine (PubChem CID 82286426) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (2-tert-butyl-1,3-benzothiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-1,3-benzothiazol-5-yl)methanamine
PubChem CID82286426
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name(2-tert-butyl-1,3-benzothiazol-5-yl)methanamine
SMILESCC(C)(C)c1nc2cc(CN)ccc2s1
InChIInChI=1S/C12H16N2S/c1-12(2,3)11-14-9-6-8(7-13)4-5-10(9)15-11/h4-6H,7,13H2,1-3H3
InChIKeyHDLIFXKIFBLTPC-UHFFFAOYSA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-tert-butyl-1,3-benzothiazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-benzothiazol-5-yl)methanamine?
The IUPAC name of (2-tert-butyl-1,3-benzothiazol-5-yl)methanamine (CID 82286426) is (2-tert-butyl-1,3-benzothiazol-5-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-1,3-benzothiazol-5-yl)methanamine?
The canonical SMILES for (2-tert-butyl-1,3-benzothiazol-5-yl)methanamine is CC(C)(C)c1nc2cc(CN)ccc2s1.
What is the InChIKey of (2-tert-butyl-1,3-benzothiazol-5-yl)methanamine?
The InChIKey is HDLIFXKIFBLTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-12(2,3)11-14-9-6-8(7-13)4-5-10(9)15-11/h4-6H,7,13H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-benzothiazol-5-yl)methanamine?
(2-tert-butyl-1,3-benzothiazol-5-yl)methanamine has a molecular weight of 220.34 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-benzothiazol-5-yl)methanamine is sourced from PubChem (CID 82286426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).