4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

C8H10F3N3OS — CID 45497132

IUPAC4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c1-2-3-5-6(16-14-13-5)7(15)12-4-8(9,10)11/h2-4H2,1H3,(H,12,15)
InChIKeyRDDBRQVZHZKNRO-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.78
Rot. Bonds4

About 4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (PubChem CID 45497132) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
PubChem CID45497132
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c1-2-3-5-6(16-14-13-5)7(15)12-4-8(9,10)11/h2-4H2,1H3,(H,12,15)
InChIKeyRDDBRQVZHZKNRO-UHFFFAOYSA-N
XLogP1.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (CID 45497132) is 4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The InChIKey is RDDBRQVZHZKNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-2-3-5-6(16-14-13-5)7(15)12-4-8(9,10)11/h2-4H2,1H3,(H,12,15).
What are the key properties of 4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide has a molecular weight of 253.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 45497132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).