(2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide

C12H10F3N3O2S — CID 7364236

IUPAC(2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1nncs1
InChIInChI=1S/C12H10F3N3O2S/c1-7(10(19)17-11-18-16-6-21-11)20-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,17,18,19)/t7-/m0/s1
InChIKeyFTFAUSYAXXEPRR-ZETCQYMHSA-N
MW317.29 g/mol
LogP2.96
Rot. Bonds4

About (2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide

(2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide (PubChem CID 7364236) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is (2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide
PubChem CID7364236
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name(2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1nncs1
InChIInChI=1S/C12H10F3N3O2S/c1-7(10(19)17-11-18-16-6-21-11)20-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,17,18,19)/t7-/m0/s1
InChIKeyFTFAUSYAXXEPRR-ZETCQYMHSA-N
XLogP2.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide (CID 7364236) is (2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide is C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1nncs1.
What is the InChIKey of (2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is FTFAUSYAXXEPRR-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-7(10(19)17-11-18-16-6-21-11)20-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,17,18,19)/t7-/m0/s1.
What are the key properties of (2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide?
(2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 317.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 7364236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).