2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide

C19H21N3O2S2 — CID 133199985

IUPAC2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SC(C)C)s1
InChIInChI=1S/C19H21N3O2S2/c1-4-16(17(23)20-18-21-22-19(26-18)25-12(2)3)24-15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16H,4H2,1-3H3,(H,20,21,23)
InChIKeyAFYRFHWRJTZIDF-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.99
Rot. Bonds7

About 2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide

2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 133199985) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID133199985
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SC(C)C)s1
InChIInChI=1S/C19H21N3O2S2/c1-4-16(17(23)20-18-21-22-19(26-18)25-12(2)3)24-15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16H,4H2,1-3H3,(H,20,21,23)
InChIKeyAFYRFHWRJTZIDF-UHFFFAOYSA-N
XLogP4.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.99
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'}

Analyze 2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide 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-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxybutanamide
CID 133235269
2-(4-methoxyphenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133163990
2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133184799
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxybutanamide
CID 842074
(2S)-2-(4-methoxyphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100601405
2-(4-ethylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133235749
(2S)-2-(4-methylphenoxy)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100724473
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenoxy)butanamide
CID 100633655
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)butanamide
CID 133184399
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
2-(4-chloro-3-methylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133219396
2-(4-fluorophenoxy)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 133184293

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide (CID 133199985) is 2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide is CCC(Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SC(C)C)s1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is AFYRFHWRJTZIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-4-16(17(23)20-18-21-22-19(26-18)25-12(2)3)24-15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16H,4H2,1-3H3,(H,20,21,23).
What are the key properties of 2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide?
2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 387.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 133199985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).