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

C7H7ClN6S2 — CID 80886184

IUPAC4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C7H7ClN6S2/c1-3-13-14-7(15-3)16-6-11-4(8)10-5(9-2)12-6/h1-2H3,(H,9,10,11,12)
InChIKeyCUVAPXZPOOYLLF-UHFFFAOYSA-N
MW274.76 g/mol
LogP1.88
Rot. Bonds3

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

4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 80886184) has the molecular formula C7H7ClN6S2 and a molecular weight of 274.76 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID80886184
Molecular FormulaC7H7ClN6S2
Molecular Weight274.76 g/mol
Exact Mass273.99
IUPAC Name4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C7H7ClN6S2/c1-3-13-14-7(15-3)16-6-11-4(8)10-5(9-2)12-6/h1-2H3,(H,9,10,11,12)
InChIKeyCUVAPXZPOOYLLF-UHFFFAOYSA-N
XLogP1.88
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 80886184) is 4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is CUVAPXZPOOYLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6S2/c1-3-13-14-7(15-3)16-6-11-4(8)10-5(9-2)12-6/h1-2H3,(H,9,10,11,12).
What are the key properties of 4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 274.76 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80886184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).