4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide

C12H17F3N4OS — CID 138997511

IUPAC4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C12H17F3N4OS/c1-2-9-10(21-18-17-9)11(20)16-8-4-3-5-19(6-8)7-12(13,14)15/h8H,2-7H2,1H3,(H,16,20)
InChIKeyIQZRHLSRUSWZCA-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.86
Rot. Bonds4

About 4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide

4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide (PubChem CID 138997511) has the molecular formula C12H17F3N4OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide
PubChem CID138997511
Molecular FormulaC12H17F3N4OS
Molecular Weight322.36 g/mol
Exact Mass322.11
IUPAC Name4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C12H17F3N4OS/c1-2-9-10(21-18-17-9)11(20)16-8-4-3-5-19(6-8)7-12(13,14)15/h8H,2-7H2,1H3,(H,16,20)
InChIKeyIQZRHLSRUSWZCA-UHFFFAOYSA-N
XLogP1.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide (CID 138997511) is 4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC1CCCN(CC(F)(F)F)C1.
What is the InChIKey of 4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide?
The InChIKey is IQZRHLSRUSWZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4OS/c1-2-9-10(21-18-17-9)11(20)16-8-4-3-5-19(6-8)7-12(13,14)15/h8H,2-7H2,1H3,(H,16,20).
What are the key properties of 4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide?
4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 138997511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).