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

C13H9NS2 — CID 2795747

IUPAC2-phenyl-4-thiophen-2-yl-1,3-thiazole
SMILESc1ccc(-c2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C13H9NS2/c1-2-5-10(6-3-1)13-14-11(9-16-13)12-7-4-8-15-12/h1-9H
InChIKeyGSMJPRNOHKQEAG-UHFFFAOYSA-N
MW243.36 g/mol
LogP4.54
Rot. Bonds2

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

2-phenyl-4-thiophen-2-yl-1,3-thiazole (PubChem CID 2795747) has the molecular formula C13H9NS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is 2-phenyl-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-thiophen-2-yl-1,3-thiazole
PubChem CID2795747
Molecular FormulaC13H9NS2
Molecular Weight243.36 g/mol
Exact Mass243.02
IUPAC Name2-phenyl-4-thiophen-2-yl-1,3-thiazole
SMILESc1ccc(-c2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C13H9NS2/c1-2-5-10(6-3-1)13-14-11(9-16-13)12-7-4-8-15-12/h1-9H
InChIKeyGSMJPRNOHKQEAG-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 2-phenyl-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-phenyl-4-thiophen-2-yl-1,3-thiazole (CID 2795747) is 2-phenyl-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-thiophen-2-yl-1,3-thiazole is c1ccc(-c2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of 2-phenyl-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is GSMJPRNOHKQEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS2/c1-2-5-10(6-3-1)13-14-11(9-16-13)12-7-4-8-15-12/h1-9H.
What are the key properties of 2-phenyl-4-thiophen-2-yl-1,3-thiazole?
2-phenyl-4-thiophen-2-yl-1,3-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 2-phenyl-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 2795747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).