3-(2-phenylethenyl)-1,2-thiazole

C11H9NS — CID 69287769

IUPAC3-(2-phenylethenyl)-1,2-thiazole
SMILESC(=Cc1ccsn1)c1ccccc1
InChIInChI=1S/C11H9NS/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-9H
InChIKeySCNWYTHCVMXOJL-UHFFFAOYSA-N
MW187.27 g/mol
LogP3.31
Rot. Bonds2

About 3-(2-phenylethenyl)-1,2-thiazole

3-(2-phenylethenyl)-1,2-thiazole (PubChem CID 69287769) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-(2-phenylethenyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(2-phenylethenyl)-1,2-thiazole
PubChem CID69287769
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name3-(2-phenylethenyl)-1,2-thiazole
SMILESC(=Cc1ccsn1)c1ccccc1
InChIInChI=1S/C11H9NS/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-9H
InChIKeySCNWYTHCVMXOJL-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenyl)-1,2-thiazole?
The IUPAC name of 3-(2-phenylethenyl)-1,2-thiazole (CID 69287769) is 3-(2-phenylethenyl)-1,2-thiazole.
What is the SMILES notation for 3-(2-phenylethenyl)-1,2-thiazole?
The canonical SMILES for 3-(2-phenylethenyl)-1,2-thiazole is C(=Cc1ccsn1)c1ccccc1.
What is the InChIKey of 3-(2-phenylethenyl)-1,2-thiazole?
The InChIKey is SCNWYTHCVMXOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-9H.
What are the key properties of 3-(2-phenylethenyl)-1,2-thiazole?
3-(2-phenylethenyl)-1,2-thiazole has a molecular weight of 187.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenyl)-1,2-thiazole is sourced from PubChem (CID 69287769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).