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

C11H11N3O2S — CID 936294

IUPAC(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1nncs1
InChIInChI=1S/C11H11N3O2S/c1-8(16-9-5-3-2-4-6-9)10(15)13-11-14-12-7-17-11/h2-8H,1H3,(H,13,14,15)/t8-/m0/s1
InChIKeyMZJJWONPWRYCNB-QMMMGPOBSA-N
MW249.30 g/mol
LogP1.94
Rot. Bonds4

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

(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 936294) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID936294
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1nncs1
InChIInChI=1S/C11H11N3O2S/c1-8(16-9-5-3-2-4-6-9)10(15)13-11-14-12-7-17-11/h2-8H,1H3,(H,13,14,15)/t8-/m0/s1
InChIKeyMZJJWONPWRYCNB-QMMMGPOBSA-N
XLogP1.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 874230
(2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 51958490
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 795494
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 102567212
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
(2S)-2-phenoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7322515
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2960893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 936294) is (2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide is C[C@H](Oc1ccccc1)C(=O)Nc1nncs1.
What is the InChIKey of (2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is MZJJWONPWRYCNB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-8(16-9-5-3-2-4-6-9)10(15)13-11-14-12-7-17-11/h2-8H,1H3,(H,13,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide?
(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 249.30 g/mol, XLogP of 1.94, 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-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 936294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).