(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

C17H15N3O2S — CID 99644111

IUPAC(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H15N3O2S/c1-12(22-14-10-6-3-7-11-14)15(21)18-17-20-19-16(23-17)13-8-4-2-5-9-13/h2-12H,1H3,(H,18,20,21)/t12-/m1/s1
InChIKeyMDHHYLHLXKHQDW-GFCCVEGCSA-N
MW325.39 g/mol
LogP3.61
Rot. Bonds5

About (2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 99644111) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID99644111
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H15N3O2S/c1-12(22-14-10-6-3-7-11-14)15(21)18-17-20-19-16(23-17)13-8-4-2-5-9-13/h2-12H,1H3,(H,18,20,21)/t12-/m1/s1
InChIKeyMDHHYLHLXKHQDW-GFCCVEGCSA-N
XLogP3.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653
(2S)-2-(4-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 92546674
(2R)-2-naphthalen-2-yloxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100726517
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 98845876
2-(2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133202145
(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991426
(2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 38928174
(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 795494
(2S)-2-phenoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7322515
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 19219501
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (CID 99644111) is (2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of (2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is MDHHYLHLXKHQDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-12(22-14-10-6-3-7-11-14)15(21)18-17-20-19-16(23-17)13-8-4-2-5-9-13/h2-12H,1H3,(H,18,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 325.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 99644111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).