1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone

C8H10F3N5OS — CID 174538507

IUPAC1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESNc1nnc(N2CCN(C(=O)C(F)(F)F)CC2)s1
InChIInChI=1S/C8H10F3N5OS/c9-8(10,11)5(17)15-1-3-16(4-2-15)7-14-13-6(12)18-7/h1-4H2,(H2,12,13)
InChIKeyASNQVMPUAPNWRL-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.33
Rot. Bonds1

About 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone

1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 174538507) has the molecular formula C8H10F3N5OS and a molecular weight of 281.26 g/mol. Its IUPAC name is 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID174538507
Molecular FormulaC8H10F3N5OS
Molecular Weight281.26 g/mol
Exact Mass281.06
IUPAC Name1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESNc1nnc(N2CCN(C(=O)C(F)(F)F)CC2)s1
InChIInChI=1S/C8H10F3N5OS/c9-8(10,11)5(17)15-1-3-16(4-2-15)7-14-13-6(12)18-7/h1-4H2,(H2,12,13)
InChIKeyASNQVMPUAPNWRL-UHFFFAOYSA-N
XLogP0.33
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 108753212
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 6917210
2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 102575646
1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 126758394
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 68709720
7-(5-amino-1,3,4-thiadiazol-2-yl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid
CID 174172101
5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine
CID 146043275
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
1-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 82477525
5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxylic acid
CID 66584270
5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide
CID 11653888
1-[4-(4-amino-2-methylphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 82533841

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone (CID 174538507) is 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone is Nc1nnc(N2CCN(C(=O)C(F)(F)F)CC2)s1.
What is the InChIKey of 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is ASNQVMPUAPNWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5OS/c9-8(10,11)5(17)15-1-3-16(4-2-15)7-14-13-6(12)18-7/h1-4H2,(H2,12,13).
What are the key properties of 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 281.26 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 174538507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).