4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine

C6H5ClN6S2 — CID 80885265

IUPAC4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCc1nnc(Sc2nc(N)nc(Cl)n2)s1
InChIInChI=1S/C6H5ClN6S2/c1-2-12-13-6(14-2)15-5-10-3(7)9-4(8)11-5/h1H3,(H2,8,9,10,11)
InChIKeyYMVNFBXBFWZWEA-UHFFFAOYSA-N
MW260.74 g/mol
LogP1.42
Rot. Bonds2

About 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine

4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 80885265) has the molecular formula C6H5ClN6S2 and a molecular weight of 260.74 g/mol. Its IUPAC name is 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID80885265
Molecular FormulaC6H5ClN6S2
Molecular Weight260.74 g/mol
Exact Mass259.97
IUPAC Name4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCc1nnc(Sc2nc(N)nc(Cl)n2)s1
InChIInChI=1S/C6H5ClN6S2/c1-2-12-13-6(14-2)15-5-10-3(7)9-4(8)11-5/h1H3,(H2,8,9,10,11)
InChIKeyYMVNFBXBFWZWEA-UHFFFAOYSA-N
XLogP1.42
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-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 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 80885265) is 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is Cc1nnc(Sc2nc(N)nc(Cl)n2)s1.
What is the InChIKey of 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is YMVNFBXBFWZWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN6S2/c1-2-12-13-6(14-2)15-5-10-3(7)9-4(8)11-5/h1H3,(H2,8,9,10,11).
What are the key properties of 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 260.74 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).