N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide

C18H19N3O2S2 — CID 100770760

IUPACN-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCC(C)CSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C18H19N3O2S2/c1-12(2)11-24-18-21-20-17(25-18)19-16(22)10-23-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,10-11H2,1-2H3,(H,19,20,22)
InChIKeyWUKCRBCPDKPKDZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.46
Rot. Bonds7

About N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide

N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 100770760) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID100770760
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCC(C)CSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C18H19N3O2S2/c1-12(2)11-24-18-21-20-17(25-18)19-16(22)10-23-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,10-11H2,1-2H3,(H,19,20,22)
InChIKeyWUKCRBCPDKPKDZ-UHFFFAOYSA-N
XLogP4.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.46
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

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 8800644
2-naphthalen-2-yloxy-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 44957887
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
2-(3-methyl-4-propan-2-ylphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19218351
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813917
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dichlorophenoxy)acetamide
CID 37027667
4-ethoxy-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100763253
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-bromo-3-methylphenoxy)acetamide
CID 100636314
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
CID 19228480
N-(2-methylsulfanylphenyl)-2-naphthalen-2-yloxyacetamide
CID 4805358
2-(2-propan-2-ylphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19218388

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide (CID 100770760) is N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide is CC(C)CSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1.
What is the InChIKey of N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is WUKCRBCPDKPKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-12(2)11-24-18-21-20-17(25-18)19-16(22)10-23-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,10-11H2,1-2H3,(H,19,20,22).
What are the key properties of N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 373.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 100770760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).