2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole

C11H12F3N5S2 — CID 77093576

IUPAC2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCN(Cc3cscn3)CC2)s1
InChIInChI=1S/C11H12F3N5S2/c12-11(13,14)9-16-17-10(21-9)19-3-1-18(2-4-19)5-8-6-20-7-15-8/h6-7H,1-5H2
InChIKeyMQZLIYWDFPZEHC-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.34
Rot. Bonds3

About 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole

2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 77093576) has the molecular formula C11H12F3N5S2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID77093576
Molecular FormulaC11H12F3N5S2
Molecular Weight335.38 g/mol
Exact Mass335.05
IUPAC Name2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCN(Cc3cscn3)CC2)s1
InChIInChI=1S/C11H12F3N5S2/c12-11(13,14)9-16-17-10(21-9)19-3-1-18(2-4-19)5-8-6-20-7-15-8/h6-7H,1-5H2
InChIKeyMQZLIYWDFPZEHC-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-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-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 77093576) is 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(N2CCN(Cc3cscn3)CC2)s1.
What is the InChIKey of 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is MQZLIYWDFPZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5S2/c12-11(13,14)9-16-17-10(21-9)19-3-1-18(2-4-19)5-8-6-20-7-15-8/h6-7H,1-5H2.
What are the key properties of 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 335.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 77093576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).