2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide

C10H8FN3OS2 — CID 29369356

IUPAC2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1nncs1
InChIInChI=1S/C10H8FN3OS2/c11-7-1-3-8(4-2-7)16-5-9(15)13-10-14-12-6-17-10/h1-4,6H,5H2,(H,13,14,15)
InChIKeyKQRMHVJHCAGXDA-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 29369356) has the molecular formula C10H8FN3OS2 and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID29369356
Molecular FormulaC10H8FN3OS2
Molecular Weight269.33 g/mol
Exact Mass269.01
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1nncs1
InChIInChI=1S/C10H8FN3OS2/c11-7-1-3-8(4-2-7)16-5-9(15)13-10-14-12-6-17-10/h1-4,6H,5H2,(H,13,14,15)
InChIKeyKQRMHVJHCAGXDA-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 35523950
2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 5219477
2-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2995110
2-[[5-[1-(4-fluorophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19640464
2-(4-bromophenyl)sulfanyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 16549507
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 94471434
2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide
CID 43429344
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7546081
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421
2-(4-fluorophenyl)sulfanyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 39804824
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 29369356) is 2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CSc1ccc(F)cc1)Nc1nncs1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KQRMHVJHCAGXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS2/c11-7-1-3-8(4-2-7)16-5-9(15)13-10-14-12-6-17-10/h1-4,6H,5H2,(H,13,14,15).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 269.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 29369356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).