N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C14H11N3OS2 — CID 2532337

IUPACN-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1cccc2ccccc12
InChIInChI=1S/C14H11N3OS2/c18-13(8-19-14-17-15-9-20-14)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,8H2,(H,16,18)
InChIKeyHKRHWUXZEGQQFT-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.42
Rot. Bonds4

About N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2532337) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2532337
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1cccc2ccccc12
InChIInChI=1S/C14H11N3OS2/c18-13(8-19-14-17-15-9-20-14)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,8H2,(H,16,18)
InChIKeyHKRHWUXZEGQQFT-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-Naphthalenyl)-2-thioxo-4-thiazolidinone
CID 211702
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 2081219
2-(4,5-dihydro-1,3-thiazol-2-ylthio)-N-1-naphthylacetamide
CID 766891
2-(4,5-dihydro-1,3-thiazol-2-ylthio)-N-2-naphthylacetamide
CID 5032092
N-1-naphthyl-2-(2-thienylthio)acetamide
CID 895734
5-Methyl-3-(1-naphthalenyl)-2-thioxo-4-thiazolidinone
CID 211703
2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)N-(2-(trifluoromethyl)PH)acetamide
CID 1573715
N-(3,5-Dimethylphenyl)-2-({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-YL}sulfanyl)acetamide
CID 1886372
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 673894
N-(2-fluorophenyl)-2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
CID 1561208
2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(2-isopropylphenyl)acetamide
CID 1543093
2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)N-(3-(trifluoromethyl)PH)acetamide
CID 1544129

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2532337) is N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is O=C(CSc1nncs1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is HKRHWUXZEGQQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c18-13(8-19-14-17-15-9-20-14)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,8H2,(H,16,18).
What are the key properties of N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 301.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2532337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).