3-phenyl-4-thiophen-2-yl-1,2-thiazole

C13H9NS2 — CID 141162564

IUPAC3-phenyl-4-thiophen-2-yl-1,2-thiazole
SMILESc1ccc(-c2nscc2-c2cccs2)cc1
InChIInChI=1S/C13H9NS2/c1-2-5-10(6-3-1)13-11(9-16-14-13)12-7-4-8-15-12/h1-9H
InChIKeyLIHPREYNICWJMB-UHFFFAOYSA-N
MW243.36 g/mol
LogP4.54
Rot. Bonds2

About 3-phenyl-4-thiophen-2-yl-1,2-thiazole

3-phenyl-4-thiophen-2-yl-1,2-thiazole (PubChem CID 141162564) has the molecular formula C13H9NS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is 3-phenyl-4-thiophen-2-yl-1,2-thiazole.

Molecular Properties

Compound Name3-phenyl-4-thiophen-2-yl-1,2-thiazole
PubChem CID141162564
Molecular FormulaC13H9NS2
Molecular Weight243.36 g/mol
Exact Mass243.02
IUPAC Name3-phenyl-4-thiophen-2-yl-1,2-thiazole
SMILESc1ccc(-c2nscc2-c2cccs2)cc1
InChIInChI=1S/C13H9NS2/c1-2-5-10(6-3-1)13-11(9-16-14-13)12-7-4-8-15-12/h1-9H
InChIKeyLIHPREYNICWJMB-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-thiophen-2-yl-1,2-thiazole?
The IUPAC name of 3-phenyl-4-thiophen-2-yl-1,2-thiazole (CID 141162564) is 3-phenyl-4-thiophen-2-yl-1,2-thiazole.
What is the SMILES notation for 3-phenyl-4-thiophen-2-yl-1,2-thiazole?
The canonical SMILES for 3-phenyl-4-thiophen-2-yl-1,2-thiazole is c1ccc(-c2nscc2-c2cccs2)cc1.
What is the InChIKey of 3-phenyl-4-thiophen-2-yl-1,2-thiazole?
The InChIKey is LIHPREYNICWJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS2/c1-2-5-10(6-3-1)13-11(9-16-14-13)12-7-4-8-15-12/h1-9H.
What are the key properties of 3-phenyl-4-thiophen-2-yl-1,2-thiazole?
3-phenyl-4-thiophen-2-yl-1,2-thiazole has a molecular weight of 243.36 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-thiophen-2-yl-1,2-thiazole is sourced from PubChem (CID 141162564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).