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

C19H19N3O2S — CID 100766238

IUPAC(2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3C)s2)cc1
InChIInChI=1S/C19H19N3O2S/c1-12-8-10-15(11-9-12)18-21-22-19(25-18)20-17(23)14(3)24-16-7-5-4-6-13(16)2/h4-11,14H,1-3H3,(H,20,22,23)/t14-/m0/s1
InChIKeyCUNLWVVZIYAGIR-AWEZNQCLSA-N
MW353.45 g/mol
LogP4.23
Rot. Bonds5

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

(2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 100766238) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID100766238
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3C)s2)cc1
InChIInChI=1S/C19H19N3O2S/c1-12-8-10-15(11-9-12)18-21-22-19(25-18)20-17(23)14(3)24-16-7-5-4-6-13(16)2/h4-11,14H,1-3H3,(H,20,22,23)/t14-/m0/s1
InChIKeyCUNLWVVZIYAGIR-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

Analyze (2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133261870
(2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 38928174
(2S)-2-(2-chlorophenoxy)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100566516
2-(2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133202145
(2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100761285
(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
(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
(2R)-2-naphthalen-2-yloxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100726517

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 100766238) is (2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3C)s2)cc1.
What is the InChIKey of (2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is CUNLWVVZIYAGIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-8-10-15(11-9-12)18-21-22-19(25-18)20-17(23)14(3)24-16-7-5-4-6-13(16)2/h4-11,14H,1-3H3,(H,20,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
(2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-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-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 100766238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).