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

C9H11N5S3 — CID 78990213

IUPACN-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine
SMILESCCNc1cncc(Sc2nnc(SC)s2)n1
InChIInChI=1S/C9H11N5S3/c1-3-11-6-4-10-5-7(12-6)16-9-14-13-8(15-2)17-9/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyYAMPRPBZAQFCOV-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.63
Rot. Bonds5

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

N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine (PubChem CID 78990213) has the molecular formula C9H11N5S3 and a molecular weight of 285.42 g/mol. Its IUPAC name is N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine
PubChem CID78990213
Molecular FormulaC9H11N5S3
Molecular Weight285.42 g/mol
Exact Mass285.02
IUPAC NameN-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine
SMILESCCNc1cncc(Sc2nnc(SC)s2)n1
InChIInChI=1S/C9H11N5S3/c1-3-11-6-4-10-5-7(12-6)16-9-14-13-8(15-2)17-9/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyYAMPRPBZAQFCOV-UHFFFAOYSA-N
XLogP2.63
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-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 N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine (CID 78990213) is N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine is CCNc1cncc(Sc2nnc(SC)s2)n1.
What is the InChIKey of N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine?
The InChIKey is YAMPRPBZAQFCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S3/c1-3-11-6-4-10-5-7(12-6)16-9-14-13-8(15-2)17-9/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine?
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine has a molecular weight of 285.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 78990213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).