N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide

C11H15F3N4OS — CID 136534098

IUPACN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)c1cnns1
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)7-18-3-1-8(2-4-18)5-15-10(19)9-6-16-17-20-9/h6,8H,1-5,7H2,(H,15,19)
InChIKeyCYSCSOOLPLSFSL-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.54
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide

N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 136534098) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide
PubChem CID136534098
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)c1cnns1
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)7-18-3-1-8(2-4-18)5-15-10(19)9-6-16-17-20-9/h6,8H,1-5,7H2,(H,15,19)
InChIKeyCYSCSOOLPLSFSL-UHFFFAOYSA-N
XLogP1.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide (CID 136534098) is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide is O=C(NCC1CCN(CC(F)(F)F)CC1)c1cnns1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is CYSCSOOLPLSFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c12-11(13,14)7-18-3-1-8(2-4-18)5-15-10(19)9-6-16-17-20-9/h6,8H,1-5,7H2,(H,15,19).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide?
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 136534098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).