7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine

C10H10N4S — CID 2771053

IUPAC7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
SMILESCc1ccc2sc3nnc(N)n3c2c1C
InChIInChI=1S/C10H10N4S/c1-5-3-4-7-8(6(5)2)14-9(11)12-13-10(14)15-7/h3-4H,1-2H3,(H2,11,12)
InChIKeyUUXGMNCGBYTLAB-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.14
Rot. Bonds

About 7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine

7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine (PubChem CID 2771053) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
PubChem CID2771053
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
SMILESCc1ccc2sc3nnc(N)n3c2c1C
InChIInChI=1S/C10H10N4S/c1-5-3-4-7-8(6(5)2)14-9(11)12-13-10(14)15-7/h3-4H,1-2H3,(H2,11,12)
InChIKeyUUXGMNCGBYTLAB-UHFFFAOYSA-N
XLogP2.14
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The IUPAC name of 7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine (CID 2771053) is 7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine is Cc1ccc2sc3nnc(N)n3c2c1C.
What is the InChIKey of 7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The InChIKey is UUXGMNCGBYTLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-5-3-4-7-8(6(5)2)14-9(11)12-13-10(14)15-7/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine has a molecular weight of 218.28 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 2771053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).