4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole

C15H15NS3 — CID 2741012

IUPAC4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole
SMILESCC(C)(C)c1csc(-c2ccc(-c3cccs3)s2)n1
InChIInChI=1S/C15H15NS3/c1-15(2,3)13-9-18-14(16-13)12-7-6-11(19-12)10-5-4-8-17-10/h4-9H,1-3H3
InChIKeyONCDVKUZWHZLNM-UHFFFAOYSA-N
MW305.49 g/mol
LogP5.90
Rot. Bonds2

About 4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole

4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole (PubChem CID 2741012) has the molecular formula C15H15NS3 and a molecular weight of 305.49 g/mol. Its IUPAC name is 4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole
PubChem CID2741012
Molecular FormulaC15H15NS3
Molecular Weight305.49 g/mol
Exact Mass305.04
IUPAC Name4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole
SMILESCC(C)(C)c1csc(-c2ccc(-c3cccs3)s2)n1
InChIInChI=1S/C15H15NS3/c1-15(2,3)13-9-18-14(16-13)12-7-6-11(19-12)10-5-4-8-17-10/h4-9H,1-3H3
InChIKeyONCDVKUZWHZLNM-UHFFFAOYSA-N
XLogP5.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.49
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole (CID 2741012) is 4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole is CC(C)(C)c1csc(-c2ccc(-c3cccs3)s2)n1.
What is the InChIKey of 4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole?
The InChIKey is ONCDVKUZWHZLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS3/c1-15(2,3)13-9-18-14(16-13)12-7-6-11(19-12)10-5-4-8-17-10/h4-9H,1-3H3.
What are the key properties of 4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole?
4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole has a molecular weight of 305.49 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 2741012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).