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

C10H18N4S — CID 166085120

IUPAC2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCCN1CCN(c2nnc(C)s2)C(C)C1
InChIInChI=1S/C10H18N4S/c1-4-13-5-6-14(8(2)7-13)10-12-11-9(3)15-10/h8H,4-7H2,1-3H3
InChIKeyFYMVANSPSZWOKK-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.38
Rot. Bonds2

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

2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 166085120) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID166085120
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCCN1CCN(c2nnc(C)s2)C(C)C1
InChIInChI=1S/C10H18N4S/c1-4-13-5-6-14(8(2)7-13)10-12-11-9(3)15-10/h8H,4-7H2,1-3H3
InChIKeyFYMVANSPSZWOKK-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole (CID 166085120) is 2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole is CCN1CCN(c2nnc(C)s2)C(C)C1.
What is the InChIKey of 2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is FYMVANSPSZWOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-4-13-5-6-14(8(2)7-13)10-12-11-9(3)15-10/h8H,4-7H2,1-3H3.
What are the key properties of 2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 226.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 166085120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).