2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole

C15H9NS3 — CID 14748184

IUPAC2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole
SMILESc1csc(-c2ccc(-c3nc4ccccc4s3)s2)c1
InChIInChI=1S/C15H9NS3/c1-2-5-11-10(4-1)16-15(19-11)14-8-7-13(18-14)12-6-3-9-17-12/h1-9H
InChIKeyRXYVQASOTAKQRQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.75
Rot. Bonds2

About 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole

2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole (PubChem CID 14748184) has the molecular formula C15H9NS3 and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole
PubChem CID14748184
Molecular FormulaC15H9NS3
Molecular Weight299.44 g/mol
Exact Mass298.99
IUPAC Name2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole
SMILESc1csc(-c2ccc(-c3nc4ccccc4s3)s2)c1
InChIInChI=1S/C15H9NS3/c1-2-5-11-10(4-1)16-15(19-11)14-8-7-13(18-14)12-6-3-9-17-12/h1-9H
InChIKeyRXYVQASOTAKQRQ-UHFFFAOYSA-N
XLogP5.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole (CID 14748184) is 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole is c1csc(-c2ccc(-c3nc4ccccc4s3)s2)c1.
What is the InChIKey of 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole?
The InChIKey is RXYVQASOTAKQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NS3/c1-2-5-11-10(4-1)16-15(19-11)14-8-7-13(18-14)12-6-3-9-17-12/h1-9H.
What are the key properties of 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole?
2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole has a molecular weight of 299.44 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 14748184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).