(2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C21H21N3O2S — CID 100751464

IUPAC(2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C21H21N3O2S/c1-14(26-18-13-7-11-15-8-5-6-12-17(15)18)19(25)22-21-24-23-20(27-21)16-9-3-2-4-10-16/h2-4,7,9-11,13-14H,5-6,8,12H2,1H3,(H,22,24,25)/t14-/m1/s1
InChIKeyHKVAIRWJNHMCQL-CQSZACIVSA-N
MW379.49 g/mol
LogP4.49
Rot. Bonds5

About (2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

(2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 100751464) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is (2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID100751464
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name(2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C21H21N3O2S/c1-14(26-18-13-7-11-15-8-5-6-12-17(15)18)19(25)22-21-24-23-20(27-21)16-9-3-2-4-10-16/h2-4,7,9-11,13-14H,5-6,8,12H2,1H3,(H,22,24,25)/t14-/m1/s1
InChIKeyHKVAIRWJNHMCQL-CQSZACIVSA-N
XLogP4.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133224949
(2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 38928174
2-(2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133202145
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
(2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100766238
(2S)-2-(4-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 92546674
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
2-(2-bromo-4-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 43077866
N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133200022
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133261870

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of (2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 100751464) is (2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for (2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for (2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of (2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is HKVAIRWJNHMCQL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14(26-18-13-7-11-15-8-5-6-12-17(15)18)19(25)22-21-24-23-20(27-21)16-9-3-2-4-10-16/h2-4,7,9-11,13-14H,5-6,8,12H2,1H3,(H,22,24,25)/t14-/m1/s1.
What are the key properties of (2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
(2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 379.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 100751464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).