N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide

C10H14F3N5OS — CID 120811239

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1csnn1
InChIInChI=1S/C10H14F3N5OS/c11-10(12,13)8(18-3-1-14-2-4-18)5-15-9(19)7-6-20-17-16-7/h6,8,14H,1-5H2,(H,15,19)
InChIKeyQXHQTQIAXRALDM-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.10
Rot. Bonds4

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide (PubChem CID 120811239) 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)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
PubChem CID120811239
Molecular FormulaC10H14F3N5OS
Molecular Weight309.32 g/mol
Exact Mass309.09
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1csnn1
InChIInChI=1S/C10H14F3N5OS/c11-10(12,13)8(18-3-1-14-2-4-18)5-15-9(19)7-6-20-17-16-7/h6,8,14H,1-5H2,(H,15,19)
InChIKeyQXHQTQIAXRALDM-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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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide (CID 120811239) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1csnn1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide?
The InChIKey is QXHQTQIAXRALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5OS/c11-10(12,13)8(18-3-1-14-2-4-18)5-15-9(19)7-6-20-17-16-7/h6,8,14H,1-5H2,(H,15,19).
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-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)thiadiazole-4-carboxamide is sourced from PubChem (CID 120811239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).