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

C12H10F3N3O2S — CID 795494

IUPAC(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C12H10F3N3O2S/c1-7(20-8-5-3-2-4-6-8)9(19)16-11-18-17-10(21-11)12(13,14)15/h2-7H,1H3,(H,16,18,19)/t7-/m0/s1
InChIKeyWNINYSLIEXVMMA-ZETCQYMHSA-N
MW317.29 g/mol
LogP2.96
Rot. Bonds4

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

(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 795494) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID795494
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C12H10F3N3O2S/c1-7(20-8-5-3-2-4-6-8)9(19)16-11-18-17-10(21-11)12(13,14)15/h2-7H,1H3,(H,16,18,19)/t7-/m0/s1
InChIKeyWNINYSLIEXVMMA-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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Related Compounds

(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
(2S)-2-(4-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 92546674
N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 89279295
(2S)-2-phenoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7322515
(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 19219501
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279568
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 55829286

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 795494) is (2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is C[C@H](Oc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of (2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is WNINYSLIEXVMMA-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-7(20-8-5-3-2-4-6-8)9(19)16-11-18-17-10(21-11)12(13,14)15/h2-7H,1H3,(H,16,18,19)/t7-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]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)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 795494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).