5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C8H11N7OS2 — CID 80883745

IUPAC5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOc1nc(N)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C8H11N7OS2/c1-15(2)7-13-14-8(18-7)17-6-11-4(9)10-5(12-6)16-3/h1-3H3,(H2,9,10,11,12)
InChIKeyWIXHYGLUHARCDJ-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.53
Rot. Bonds4

About 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80883745) has the molecular formula C8H11N7OS2 and a molecular weight of 285.36 g/mol. Its IUPAC name is 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80883745
Molecular FormulaC8H11N7OS2
Molecular Weight285.36 g/mol
Exact Mass285.05
IUPAC Name5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOc1nc(N)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C8H11N7OS2/c1-15(2)7-13-14-8(18-7)17-6-11-4(9)10-5(12-6)16-3/h1-3H3,(H2,9,10,11,12)
InChIKeyWIXHYGLUHARCDJ-UHFFFAOYSA-N
XLogP0.53
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-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 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80883745) is 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is COc1nc(N)nc(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WIXHYGLUHARCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7OS2/c1-15(2)7-13-14-8(18-7)17-6-11-4(9)10-5(12-6)16-3/h1-3H3,(H2,9,10,11,12).
What are the key properties of 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 285.36 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80883745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).