2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone

C11H11NOS2 — CID 794515

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone
SMILESO=C(CSC1=NCCS1)c1ccccc1
InChIInChI=1S/C11H11NOS2/c13-10(9-4-2-1-3-5-9)8-15-11-12-6-7-14-11/h1-5H,6-8H2
InChIKeyMMPPSOUDWOOQCE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.71
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone (PubChem CID 794515) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone
PubChem CID794515
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone
SMILESO=C(CSC1=NCCS1)c1ccccc1
InChIInChI=1S/C11H11NOS2/c13-10(9-4-2-1-3-5-9)8-15-11-12-6-7-14-11/h1-5H,6-8H2
InChIKeyMMPPSOUDWOOQCE-UHFFFAOYSA-N
XLogP2.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)azetidin-1-yl]-phenylmethanone
CID 101465875
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 2359401
N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide
CID 1243092
2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone bromide
CID 21179437
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4553018
2-ethylsulfanyl-1-phenylethanone
CID 2776060
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 84602735
2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
CID 15879978
3-benzyl-2-phenacylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7207795
2-(3,4-dihydroisoquinolin-1-ylsulfanyl)-1-(4-phenylphenyl)ethanone
CID 2824217
N,N-dimethyl-3-phenacylsulfanylbenzamide
CID 84558154
1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone
CID 175876959

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone (CID 794515) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone is O=C(CSC1=NCCS1)c1ccccc1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone?
The InChIKey is MMPPSOUDWOOQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c13-10(9-4-2-1-3-5-9)8-15-11-12-6-7-14-11/h1-5H,6-8H2.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone has a molecular weight of 237.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 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)-1-phenylethanone is sourced from PubChem (CID 794515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).