N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide

C12H17F3N4O2S — CID 56867698

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESCCc1nnc(NC(=O)CCN2CCOC(C(F)(F)F)C2)s1
InChIInChI=1S/C12H17F3N4O2S/c1-2-10-17-18-11(22-10)16-9(20)3-4-19-5-6-21-8(7-19)12(13,14)15/h8H,2-7H2,1H3,(H,16,18,20)
InChIKeyPUJFSLFFZQBULT-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.69
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide (PubChem CID 56867698) has the molecular formula C12H17F3N4O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
PubChem CID56867698
Molecular FormulaC12H17F3N4O2S
Molecular Weight338.36 g/mol
Exact Mass338.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESCCc1nnc(NC(=O)CCN2CCOC(C(F)(F)F)C2)s1
InChIInChI=1S/C12H17F3N4O2S/c1-2-10-17-18-11(22-10)16-9(20)3-4-19-5-6-21-8(7-19)12(13,14)15/h8H,2-7H2,1H3,(H,16,18,20)
InChIKeyPUJFSLFFZQBULT-UHFFFAOYSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide (CID 56867698) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide is CCc1nnc(NC(=O)CCN2CCOC(C(F)(F)F)C2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The InChIKey is PUJFSLFFZQBULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2S/c1-2-10-17-18-11(22-10)16-9(20)3-4-19-5-6-21-8(7-19)12(13,14)15/h8H,2-7H2,1H3,(H,16,18,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide has a molecular weight of 338.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 56867698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).