4-methyl-1,3-benzothiazol-2-amine

C8H8N2S — CID 15132

IUPAC4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(N)nc12
InChIInChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)
InChIKeyGRIATXVEXOFBGO-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.19
Rot. Bonds

About 4-methyl-1,3-benzothiazol-2-amine

4-methyl-1,3-benzothiazol-2-amine (PubChem CID 15132) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-1,3-benzothiazol-2-amine
PubChem CID15132
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(N)nc12
InChIInChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)
InChIKeyGRIATXVEXOFBGO-UHFFFAOYSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-1,3-benzothiazol-2-amine (CID 15132) is 4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-1,3-benzothiazol-2-amine is Cc1cccc2sc(N)nc12.
What is the InChIKey of 4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is GRIATXVEXOFBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10).
What are the key properties of 4-methyl-1,3-benzothiazol-2-amine?
4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 164.23 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 15132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).