2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

C16H14ClN3OS3 — CID 3953709

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)CSc2cccc3cccc(Cl)c23)s1
InChIInChI=1S/C16H14ClN3OS3/c1-2-22-16-20-19-15(24-16)18-13(21)9-23-12-8-4-6-10-5-3-7-11(17)14(10)12/h3-8H,2,9H2,1H3,(H,18,19,21)
InChIKeyJMNAQBWUNSFXGD-UHFFFAOYSA-N
MW395.96 g/mol
LogP5.19
Rot. Bonds6

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3953709) has the molecular formula C16H14ClN3OS3 and a molecular weight of 395.96 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3953709
Molecular FormulaC16H14ClN3OS3
Molecular Weight395.96 g/mol
Exact Mass395.00
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)CSc2cccc3cccc(Cl)c23)s1
InChIInChI=1S/C16H14ClN3OS3/c1-2-22-16-20-19-15(24-16)18-13(21)9-23-12-8-4-6-10-5-3-7-11(17)14(10)12/h3-8H,2,9H2,1H3,(H,18,19,21)
InChIKeyJMNAQBWUNSFXGD-UHFFFAOYSA-N
XLogP5.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.96
LogP ≤ 55.19
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

ethyl 2-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 112794508
2-(2,4-dimethylphenyl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2701543
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide
CID 9168666
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 31245977
3-bromo-N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 23857070
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 39928786
4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
CID 4788025
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 1291133
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide
CID 4144657
2-chloro-N-[1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]benzamide
CID 4964166
N-[5-[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 4313682

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3953709) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CCSc1nnc(NC(=O)CSc2cccc3cccc(Cl)c23)s1.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JMNAQBWUNSFXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS3/c1-2-22-16-20-19-15(24-16)18-13(21)9-23-12-8-4-6-10-5-3-7-11(17)14(10)12/h3-8H,2,9H2,1H3,(H,18,19,21).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 395.96 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3953709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).