4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide

C14H14F3N3O2S — CID 94800227

IUPAC4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O2S/c1-2-10-12(23-20-19-10)13(22)18-7-11(21)8-5-3-4-6-9(8)14(15,16)17/h3-6,11,21H,2,7H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyMHIJQEBTYGRNAR-LLVKDONJSA-N
MW345.35 g/mol
LogP2.58
Rot. Bonds5

About 4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide

4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide (PubChem CID 94800227) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide
PubChem CID94800227
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O2S/c1-2-10-12(23-20-19-10)13(22)18-7-11(21)8-5-3-4-6-9(8)14(15,16)17/h3-6,11,21H,2,7H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyMHIJQEBTYGRNAR-LLVKDONJSA-N
XLogP2.58
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide
CID 94023467
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide
CID 51094275
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97136781
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70731485
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97123742
(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145381
4-[4-[[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenoxy]benzamide
CID 56565950
4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
CID 34729675
4-(fluoromethyl)-N-[2-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135153711

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide (CID 94800227) is 4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide?
The InChIKey is MHIJQEBTYGRNAR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-2-10-12(23-20-19-10)13(22)18-7-11(21)8-5-3-4-6-9(8)14(15,16)17/h3-6,11,21H,2,7H2,1H3,(H,18,22)/t11-/m1/s1.
What are the key properties of 4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide?
4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 94800227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).