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

C16H19N3O2S2 — CID 133224949

IUPACN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCSc1nnc(NC(=O)C(C)Oc2cccc3c2CCCC3)s1
InChIInChI=1S/C16H19N3O2S2/c1-10(14(20)17-15-18-19-16(22-2)23-15)21-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,17,18,20)
InChIKeyFJBYSLPTZOETED-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.54
Rot. Bonds5

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

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 133224949) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID133224949
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCSc1nnc(NC(=O)C(C)Oc2cccc3c2CCCC3)s1
InChIInChI=1S/C16H19N3O2S2/c1-10(14(20)17-15-18-19-16(22-2)23-15)21-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,17,18,20)
InChIKeyFJBYSLPTZOETED-UHFFFAOYSA-N
XLogP3.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100751464
2-(2,3-dimethylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 44791662
(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
methyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzoate
CID 133163126
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 19219501
2-(4-bromophenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133160369
(2R)-N-(2-ethyl-6-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100682201
N-(3-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133162928
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 100544151
methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate
CID 100682861
N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133200022

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 133224949) is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is CSc1nnc(NC(=O)C(C)Oc2cccc3c2CCCC3)s1.
What is the InChIKey of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is FJBYSLPTZOETED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-10(14(20)17-15-18-19-16(22-2)23-15)21-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 349.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 133224949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).