2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole

C11H13NS2 — CID 24977520

IUPAC2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESc1ccc(CCSC2=NCCS2)cc1
InChIInChI=1S/C11H13NS2/c1-2-4-10(5-3-1)6-8-13-11-12-7-9-14-11/h1-5H,6-9H2
InChIKeyWGMUBYWZDPCJGD-UHFFFAOYSA-N
MW223.37 g/mol
LogP3.07
Rot. Bonds3

About 2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole

2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole (PubChem CID 24977520) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is 2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole
PubChem CID24977520
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC Name2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESc1ccc(CCSC2=NCCS2)cc1
InChIInChI=1S/C11H13NS2/c1-2-4-10(5-3-1)6-8-13-11-12-7-9-14-11/h1-5H,6-9H2
InChIKeyWGMUBYWZDPCJGD-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole (CID 24977520) is 2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole is c1ccc(CCSC2=NCCS2)cc1.
What is the InChIKey of 2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is WGMUBYWZDPCJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS2/c1-2-4-10(5-3-1)6-8-13-11-12-7-9-14-11/h1-5H,6-9H2.
What are the key properties of 2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole?
2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 223.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfanyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 24977520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).