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

C9H11N5S2 — CID 78990177

IUPACN-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine
SMILESCCNc1cncc(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H11N5S2/c1-3-11-7-4-10-5-8(12-7)16-9-14-13-6(2)15-9/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyOBGDJQDYQFFESB-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.22
Rot. Bonds4

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

N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine (PubChem CID 78990177) has the molecular formula C9H11N5S2 and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine
PubChem CID78990177
Molecular FormulaC9H11N5S2
Molecular Weight253.36 g/mol
Exact Mass253.05
IUPAC NameN-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine
SMILESCCNc1cncc(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H11N5S2/c1-3-11-7-4-10-5-8(12-7)16-9-14-13-6(2)15-9/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyOBGDJQDYQFFESB-UHFFFAOYSA-N
XLogP2.22
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine (CID 78990177) is N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine is CCNc1cncc(Sc2nnc(C)s2)n1.
What is the InChIKey of N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine?
The InChIKey is OBGDJQDYQFFESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S2/c1-3-11-7-4-10-5-8(12-7)16-9-14-13-6(2)15-9/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine?
N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine has a molecular weight of 253.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 78990177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).