2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide

C11H11FN2OS2 — CID 861422

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN2OS2/c12-8-1-3-9(4-2-8)14-10(15)7-17-11-13-5-6-16-11/h1-4H,5-7H2,(H,14,15)
InChIKeyVKYCIFXDUIDZHB-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.60
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide (PubChem CID 861422) has the molecular formula C11H11FN2OS2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide
PubChem CID861422
Molecular FormulaC11H11FN2OS2
Molecular Weight270.35 g/mol
Exact Mass270.03
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN2OS2/c12-8-1-3-9(4-2-8)14-10(15)7-17-11-13-5-6-16-11/h1-4H,5-7H2,(H,14,15)
InChIKeyVKYCIFXDUIDZHB-UHFFFAOYSA-N
XLogP2.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10382
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CID 585653
N-(4-Acetylamino-phenyl)-2-(4,5-dihydro-thiazol-2-ylsulfanyl)-acetamide
CID 646147
2-(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 851595
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 861423
2-(cyanomethylsulfanyl)-N-phenylacetamide
CID 1642466
2-[(cyanomethyl)thio]-N-(4-fluorophenyl)acetamide
CID 2229560
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide
CID 2350907
N-(2,4-difluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183954
2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate
CID 2288824
N-(2-Fluorophenyl)-2-sulfanylacetamide
CID 574212

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide (CID 861422) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide is O=C(CSC1=NCCS1)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide?
The InChIKey is VKYCIFXDUIDZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS2/c12-8-1-3-9(4-2-8)14-10(15)7-17-11-13-5-6-16-11/h1-4H,5-7H2,(H,14,15).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 861422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).