2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole

C8H14N4S — CID 65209428

IUPAC2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCc1nnc(N2CCNC(C)C2)s1
InChIInChI=1S/C8H14N4S/c1-6-5-12(4-3-9-6)8-11-10-7(2)13-8/h6,9H,3-5H2,1-2H3
InChIKeyCZNUUNFTJAOGGL-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.64
Rot. Bonds1

About 2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole

2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 65209428) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID65209428
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCc1nnc(N2CCNC(C)C2)s1
InChIInChI=1S/C8H14N4S/c1-6-5-12(4-3-9-6)8-11-10-7(2)13-8/h6,9H,3-5H2,1-2H3
InChIKeyCZNUUNFTJAOGGL-UHFFFAOYSA-N
XLogP0.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole (CID 65209428) is 2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole is Cc1nnc(N2CCNC(C)C2)s1.
What is the InChIKey of 2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is CZNUUNFTJAOGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-5-12(4-3-9-6)8-11-10-7(2)13-8/h6,9H,3-5H2,1-2H3.
What are the key properties of 2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole?
2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 198.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 65209428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).