2-Benzothiazolemethanamine

C8H8N2S — CID 350414

IUPAC1,3-benzothiazol-2-ylmethanamine
SMILESC1=CC=C2C(=C1)N=C(S2)CN
InChIInChI=1S/C8H8N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2
InChIKeyVLBUERZRFSORRZ-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.50
Rot. Bonds1

About 2-Benzothiazolemethanamine

2-Benzothiazolemethanamine (PubChem CID 350414) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1,3-benzothiazol-2-ylmethanamine.

Molecular Properties

Compound Name2-Benzothiazolemethanamine
PubChem CID350414
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name1,3-benzothiazol-2-ylmethanamine
SMILESC1=CC=C2C(=C1)N=C(S2)CN
InChIInChI=1S/C8H8N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2
InChIKeyVLBUERZRFSORRZ-UHFFFAOYSA-N
XLogP1.50
TPSA67.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity140

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Accelerator DM
CID 8447
2-(Thiocyanomethylthio)benzothiazole
CID 30692
Benzothiazole
CID 7222
Accelerator CZ
CID 7232
Sodium 2-mercaptobenzothiazole
CID 3714831
Dithiazanine Iodide
CID 5702697
2-(Methylthio)benzothiazole
CID 11989
N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide
CID 7230
2-Methylbenzothiazole
CID 8446
Benzo(d)thiazol-2-amine
CID 8706
3,3'-Diethylthiacarbocyanine iodide
CID 5709759
Zinc mercaptobenzothiazole
CID 9071

Frequently Asked Questions

What is the IUPAC name of 2-Benzothiazolemethanamine?
The IUPAC name of 2-Benzothiazolemethanamine (CID 350414) is 1,3-benzothiazol-2-ylmethanamine.
What is the SMILES notation for 2-Benzothiazolemethanamine?
The canonical SMILES for 2-Benzothiazolemethanamine is C1=CC=C2C(=C1)N=C(S2)CN.
What is the InChIKey of 2-Benzothiazolemethanamine?
The InChIKey is VLBUERZRFSORRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2.
What are the key properties of 2-Benzothiazolemethanamine?
2-Benzothiazolemethanamine has a molecular weight of 164.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Benzothiazolemethanamine is sourced from PubChem (CID 350414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).