2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole

C13H18N6S — CID 154786287

IUPAC2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1cnc(C)c(N2CCN(c3nnc(C)s3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-9-8-14-10(2)12(15-9)18-4-6-19(7-5-18)13-17-16-11(3)20-13/h8H,4-7H2,1-3H3
InChIKeyYHXJOBUXIKIHCX-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.58
Rot. Bonds2

About 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole

2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 154786287) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID154786287
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1cnc(C)c(N2CCN(c3nnc(C)s3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-9-8-14-10(2)12(15-9)18-4-6-19(7-5-18)13-17-16-11(3)20-13/h8H,4-7H2,1-3H3
InChIKeyYHXJOBUXIKIHCX-UHFFFAOYSA-N
XLogP1.58
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole 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 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 154786287) is 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1cnc(C)c(N2CCN(c3nnc(C)s3)CC2)n1.
What is the InChIKey of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is YHXJOBUXIKIHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-9-8-14-10(2)12(15-9)18-4-6-19(7-5-18)13-17-16-11(3)20-13/h8H,4-7H2,1-3H3.
What are the key properties of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 290.40 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 154786287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).