6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C16H18F3N7S2 — CID 133498547

IUPAC6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc(N2CCN(c3nn4cc(C5CCCC5)nc4s3)CC2)s1
InChIInChI=1S/C16H18F3N7S2/c17-16(18,19)12-21-22-14(27-12)24-5-7-25(8-6-24)15-23-26-9-11(20-13(26)28-15)10-3-1-2-4-10/h9-10H,1-8H2
InChIKeyNENNGDWTWAHJIX-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.65
Rot. Bonds3

About 6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133498547) has the molecular formula C16H18F3N7S2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133498547
Molecular FormulaC16H18F3N7S2
Molecular Weight429.50 g/mol
Exact Mass429.10
IUPAC Name6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc(N2CCN(c3nn4cc(C5CCCC5)nc4s3)CC2)s1
InChIInChI=1S/C16H18F3N7S2/c17-16(18,19)12-21-22-14(27-12)24-5-7-25(8-6-24)15-23-26-9-11(20-13(26)28-15)10-3-1-2-4-10/h9-10H,1-8H2
InChIKeyNENNGDWTWAHJIX-UHFFFAOYSA-N
XLogP3.65
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 133498547) is 6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is FC(F)(F)c1nnc(N2CCN(c3nn4cc(C5CCCC5)nc4s3)CC2)s1.
What is the InChIKey of 6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is NENNGDWTWAHJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7S2/c17-16(18,19)12-21-22-14(27-12)24-5-7-25(8-6-24)15-23-26-9-11(20-13(26)28-15)10-3-1-2-4-10/h9-10H,1-8H2.
What are the key properties of 6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 429.50 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133498547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).