2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine

C12H10N4S2 — CID 55249867

IUPAC2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(Sc3cnccn3)c(N)cc2s1
InChIInChI=1S/C12H10N4S2/c1-7-16-9-5-10(8(13)4-11(9)17-7)18-12-6-14-2-3-15-12/h2-6H,13H2,1H3
InChIKeyFXBBHLUUFGUZQR-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.13
Rot. Bonds2

About 2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine

2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine (PubChem CID 55249867) has the molecular formula C12H10N4S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine
PubChem CID55249867
Molecular FormulaC12H10N4S2
Molecular Weight274.37 g/mol
Exact Mass274.03
IUPAC Name2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(Sc3cnccn3)c(N)cc2s1
InChIInChI=1S/C12H10N4S2/c1-7-16-9-5-10(8(13)4-11(9)17-7)18-12-6-14-2-3-15-12/h2-6H,13H2,1H3
InChIKeyFXBBHLUUFGUZQR-UHFFFAOYSA-N
XLogP3.13
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine 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-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine (CID 55249867) is 2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine is Cc1nc2cc(Sc3cnccn3)c(N)cc2s1.
What is the InChIKey of 2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine?
The InChIKey is FXBBHLUUFGUZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S2/c1-7-16-9-5-10(8(13)4-11(9)17-7)18-12-6-14-2-3-15-12/h2-6H,13H2,1H3.
What are the key properties of 2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine?
2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine has a molecular weight of 274.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrazin-2-ylsulfanyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 55249867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).