(2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide

C11H15F3N4O2S2 — CID 95678776

IUPAC(2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](Sc1nnc(N2CCOCC2)s1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N4O2S2/c1-7(8(19)15-6-11(12,13)14)21-10-17-16-9(22-10)18-2-4-20-5-3-18/h7H,2-6H2,1H3,(H,15,19)/t7-/m0/s1
InChIKeyORKKYRLLEXLGFV-ZETCQYMHSA-N
MW356.40 g/mol
LogP1.53
Rot. Bonds5

About (2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 95678776) has the molecular formula C11H15F3N4O2S2 and a molecular weight of 356.40 g/mol. Its IUPAC name is (2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID95678776
Molecular FormulaC11H15F3N4O2S2
Molecular Weight356.40 g/mol
Exact Mass356.06
IUPAC Name(2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](Sc1nnc(N2CCOCC2)s1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H15F3N4O2S2/c1-7(8(19)15-6-11(12,13)14)21-10-17-16-9(22-10)18-2-4-20-5-3-18/h7H,2-6H2,1H3,(H,15,19)/t7-/m0/s1
InChIKeyORKKYRLLEXLGFV-ZETCQYMHSA-N
XLogP1.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 95678776) is (2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](Sc1nnc(N2CCOCC2)s1)C(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ORKKYRLLEXLGFV-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15F3N4O2S2/c1-7(8(19)15-6-11(12,13)14)21-10-17-16-9(22-10)18-2-4-20-5-3-18/h7H,2-6H2,1H3,(H,15,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 356.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 95678776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).