N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide

C10H14F3N5OS — CID 120813705

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cnsn1
InChIInChI=1S/C10H14F3N5OS/c11-10(12,13)8(18-3-1-14-2-4-18)6-15-9(19)7-5-16-20-17-7/h5,8,14H,1-4,6H2,(H,15,19)
InChIKeyVKUMPRPUQPNTTD-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.10
Rot. Bonds4

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 120813705) has the molecular formula C10H14F3N5OS and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID120813705
Molecular FormulaC10H14F3N5OS
Molecular Weight309.32 g/mol
Exact Mass309.09
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cnsn1
InChIInChI=1S/C10H14F3N5OS/c11-10(12,13)8(18-3-1-14-2-4-18)6-15-9(19)7-5-16-20-17-7/h5,8,14H,1-4,6H2,(H,15,19)
InChIKeyVKUMPRPUQPNTTD-UHFFFAOYSA-N
XLogP0.10
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Piperazinyl(1h-1,2,3-triazol-4-yl)methanone
CID 62047765
N-cyclohexyl-1,2,5-thiadiazole-3-carboxamide
CID 900720
3-Ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
CID 63601362
1-Cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
CID 71924820
N-(2,2,3,3-Tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 99835136
2H-triazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 47336883
[4-(2,2-difluoroethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 49070014
N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 72014244
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 80496050
N-[(2R)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 96547262
N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 96547263
N-(4,4,4-trifluorobutan-2-yl)-2H-triazole-4-carboxamide
CID 104854900

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide (CID 120813705) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnsn1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is VKUMPRPUQPNTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5OS/c11-10(12,13)8(18-3-1-14-2-4-18)6-15-9(19)7-5-16-20-17-7/h5,8,14H,1-4,6H2,(H,15,19).
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 120813705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).