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

C8H9ClN6S3 — CID 34888283

IUPAC4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2nnc(SC)s2)n1
InChIInChI=1S/C8H9ClN6S3/c1-3-10-5-11-4(9)12-6(13-5)17-8-15-14-7(16-2)18-8/h3H2,1-2H3,(H,10,11,12,13)
InChIKeyJTOSBVWRLKCZMQ-UHFFFAOYSA-N
MW320.86 g/mol
LogP2.68
Rot. Bonds5

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

4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 34888283) has the molecular formula C8H9ClN6S3 and a molecular weight of 320.86 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID34888283
Molecular FormulaC8H9ClN6S3
Molecular Weight320.86 g/mol
Exact Mass319.97
IUPAC Name4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2nnc(SC)s2)n1
InChIInChI=1S/C8H9ClN6S3/c1-3-10-5-11-4(9)12-6(13-5)17-8-15-14-7(16-2)18-8/h3H2,1-2H3,(H,10,11,12,13)
InChIKeyJTOSBVWRLKCZMQ-UHFFFAOYSA-N
XLogP2.68
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 34888283) is 4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Sc2nnc(SC)s2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is JTOSBVWRLKCZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6S3/c1-3-10-5-11-4(9)12-6(13-5)17-8-15-14-7(16-2)18-8/h3H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 320.86 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 34888283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).