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

C8H11F3N4S — CID 748107

IUPAC2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCN1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C8H11F3N4S/c1-14-2-4-15(5-3-14)7-13-12-6(16-7)8(9,10)11/h2-5H2,1H3
InChIKeyQJSFDLRMJWUTTC-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.31
Rot. Bonds1

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

2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 748107) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID748107
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCN1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C8H11F3N4S/c1-14-2-4-15(5-3-14)7-13-12-6(16-7)8(9,10)11/h2-5H2,1H3
InChIKeyQJSFDLRMJWUTTC-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 748107) is 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is CN1CCN(c2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is QJSFDLRMJWUTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c1-14-2-4-15(5-3-14)7-13-12-6(16-7)8(9,10)11/h2-5H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 252.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 748107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).