N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide

C11H11FN2OS2 — CID 47099494

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NC1=NCCS1
InChIInChI=1S/C11H11FN2OS2/c12-8-1-3-9(4-2-8)17-7-10(15)14-11-13-5-6-16-11/h1-4H,5-7H2,(H,13,14,15)
InChIKeyGKSQMAOMTACENC-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.14
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 47099494) has the molecular formula C11H11FN2OS2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID47099494
Molecular FormulaC11H11FN2OS2
Molecular Weight270.35 g/mol
Exact Mass270.03
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NC1=NCCS1
InChIInChI=1S/C11H11FN2OS2/c12-8-1-3-9(4-2-8)17-7-10(15)14-11-13-5-6-16-11/h1-4H,5-7H2,(H,13,14,15)
InChIKeyGKSQMAOMTACENC-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide (CID 47099494) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is GKSQMAOMTACENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS2/c12-8-1-3-9(4-2-8)17-7-10(15)14-11-13-5-6-16-11/h1-4H,5-7H2,(H,13,14,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 270.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 47099494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).