(2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

C19H19N3O2S — CID 38928174

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1C
InChIInChI=1S/C19H19N3O2S/c1-12-8-7-11-16(13(12)2)24-14(3)17(23)20-19-22-21-18(25-19)15-9-5-4-6-10-15/h4-11,14H,1-3H3,(H,20,22,23)/t14-/m0/s1
InChIKeyRIRFPFRVGISDKG-AWEZNQCLSA-N
MW353.45 g/mol
LogP4.23
Rot. Bonds5

About (2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

(2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 38928174) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID38928174
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1C
InChIInChI=1S/C19H19N3O2S/c1-12-8-7-11-16(13(12)2)24-14(3)17(23)20-19-22-21-18(25-19)15-9-5-4-6-10-15/h4-11,14H,1-3H3,(H,20,22,23)/t14-/m0/s1
InChIKeyRIRFPFRVGISDKG-AWEZNQCLSA-N
XLogP4.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100766238
2-(2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133202145
2-(2,3-dimethylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 44791662
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
(2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100751464
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133261870
(2S)-2-(4-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 92546674
2-(2-bromo-4-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 43077866
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 98845876
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2S)-2-(2-chlorophenoxy)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100566516

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (CID 38928174) is (2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1C.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is RIRFPFRVGISDKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-8-7-11-16(13(12)2)24-14(3)17(23)20-19-22-21-18(25-19)15-9-5-4-6-10-15/h4-11,14H,1-3H3,(H,20,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 353.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 38928174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).