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

C10H8FN3OS3 — CID 4536382

IUPAC2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1
InChIInChI=1S/C10H8FN3OS3/c11-6-1-3-7(4-2-6)14-10(16)18-9(13-14)17-5-8(12)15/h1-4H,5H2,(H2,12,15)
InChIKeyHMTLNHGEIQEDBX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.38
Rot. Bonds4

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

2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 4536382) has the molecular formula C10H8FN3OS3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID4536382
Molecular FormulaC10H8FN3OS3
Molecular Weight301.39 g/mol
Exact Mass300.98
IUPAC Name2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1
InChIInChI=1S/C10H8FN3OS3/c11-6-1-3-7(4-2-6)14-10(16)18-9(13-14)17-5-8(12)15/h1-4H,5H2,(H2,12,15)
InChIKeyHMTLNHGEIQEDBX-UHFFFAOYSA-N
XLogP2.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4-Fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
CID 2568375
3-(3-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 324634
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 861423
Methyl 2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 2539716
2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate
CID 2288824
N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 670655
3-(4-Fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 324639
2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 2803273
2-(4,5-Dihydro-thiazol-2-ylsulfanyl)-N-(2-fluoro-phenyl)-acetamide
CID 644787
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide
CID 861422
N-(2,4-Difluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 594825
N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 844138

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 4536382) is 2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is HMTLNHGEIQEDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS3/c11-6-1-3-7(4-2-6)14-10(16)18-9(13-14)17-5-8(12)15/h1-4H,5H2,(H2,12,15).
What are the key properties of 2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4536382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).