2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide

C16H19FN4O2S3 — CID 7883378

IUPAC2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2cccc(F)c2)s1
InChIInChI=1S/C16H19FN4O2S3/c1-3-21(4-2)14(23)10-25-16-20-19-15(26-16)24-9-13(22)18-12-7-5-6-11(17)8-12/h5-8H,3-4,9-10H2,1-2H3,(H,18,22)
InChIKeyWDLMELFZHDPZIS-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.37
Rot. Bonds9

About 2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide

2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 7883378) has the molecular formula C16H19FN4O2S3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID7883378
Molecular FormulaC16H19FN4O2S3
Molecular Weight414.55 g/mol
Exact Mass414.07
IUPAC Name2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2cccc(F)c2)s1
InChIInChI=1S/C16H19FN4O2S3/c1-3-21(4-2)14(23)10-25-16-20-19-15(26-16)24-9-13(22)18-12-7-5-6-11(17)8-12/h5-8H,3-4,9-10H2,1-2H3,(H,18,22)
InChIKeyWDLMELFZHDPZIS-UHFFFAOYSA-N
XLogP3.37
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide with MolForge

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Related Compounds

N,N-diethyl-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17451366
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674150
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 8674038
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674543
N-(3-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7965254
3,4,5-triethoxy-N-[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 16825490
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 2660669
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 36540463
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 7737844
N,N-diethyl-2-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7385234
N-(3-fluorophenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7520018
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 8674104

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide (CID 7883378) is 2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide is CCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2cccc(F)c2)s1.
What is the InChIKey of 2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is WDLMELFZHDPZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S3/c1-3-21(4-2)14(23)10-25-16-20-19-15(26-16)24-9-13(22)18-12-7-5-6-11(17)8-12/h5-8H,3-4,9-10H2,1-2H3,(H,18,22).
What are the key properties of 2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 414.55 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 7883378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).