2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole

C12H12ClF3N4OS — CID 77086285

IUPAC2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCN(Cc3ccc(Cl)o3)CC2)s1
InChIInChI=1S/C12H12ClF3N4OS/c13-9-2-1-8(21-9)7-19-3-5-20(6-4-19)11-18-17-10(22-11)12(14,15)16/h1-2H,3-7H2
InChIKeyAUHCJHNZZMZIPA-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.13
Rot. Bonds3

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

2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 77086285) has the molecular formula C12H12ClF3N4OS and a molecular weight of 352.77 g/mol. Its IUPAC name is 2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID77086285
Molecular FormulaC12H12ClF3N4OS
Molecular Weight352.77 g/mol
Exact Mass352.04
IUPAC Name2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(N2CCN(Cc3ccc(Cl)o3)CC2)s1
InChIInChI=1S/C12H12ClF3N4OS/c13-9-2-1-8(21-9)7-19-3-5-20(6-4-19)11-18-17-10(22-11)12(14,15)16/h1-2H,3-7H2
InChIKeyAUHCJHNZZMZIPA-UHFFFAOYSA-N
XLogP3.13
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 77086285) is 2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(N2CCN(Cc3ccc(Cl)o3)CC2)s1.
What is the InChIKey of 2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is AUHCJHNZZMZIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N4OS/c13-9-2-1-8(21-9)7-19-3-5-20(6-4-19)11-18-17-10(22-11)12(14,15)16/h1-2H,3-7H2.
What are the key properties of 2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 352.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 77086285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).