4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

C12H11N5OS2 — CID 80887960

IUPAC4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Sc2nc3ccccc3s2)n1
InChIInChI=1S/C12H11N5OS2/c1-13-9-15-10(18-2)17-11(16-9)20-12-14-7-5-3-4-6-8(7)19-12/h3-6H,1-2H3,(H,13,15,16,17)
InChIKeyDIZTXCVYRWREDG-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.68
Rot. Bonds4

About 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80887960) has the molecular formula C12H11N5OS2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80887960
Molecular FormulaC12H11N5OS2
Molecular Weight305.39 g/mol
Exact Mass305.04
IUPAC Name4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Sc2nc3ccccc3s2)n1
InChIInChI=1S/C12H11N5OS2/c1-13-9-15-10(18-2)17-11(16-9)20-12-14-7-5-3-4-6-8(7)19-12/h3-6H,1-2H3,(H,13,15,16,17)
InChIKeyDIZTXCVYRWREDG-UHFFFAOYSA-N
XLogP2.68
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
4-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80886922
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 43286117
2-(5-iodopyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 115620498
1-(1,3-benzothiazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
CID 107511245
2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine
CID 115321329
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide
CID 79676474
2-(1,3-benzothiazol-2-ylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 78805429
3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylbutan-2-amine
CID 64613650
methyl 2-(1,3-benzothiazol-2-yldisulfanyl)benzoate
CID 154095948
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
6-(1,3-benzothiazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80937180

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 80887960) is 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(Sc2nc3ccccc3s2)n1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is DIZTXCVYRWREDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS2/c1-13-9-15-10(18-2)17-11(16-9)20-12-14-7-5-3-4-6-8(7)19-12/h3-6H,1-2H3,(H,13,15,16,17).
What are the key properties of 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 305.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).