2,4-dithiophen-2-yl-1,3-thiazole

C11H7NS3 — CID 2546578

IUPAC2,4-dithiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2csc(-c3cccs3)n2)c1
InChIInChI=1S/C11H7NS3/c1-3-9(13-5-1)8-7-15-11(12-8)10-4-2-6-14-10/h1-7H
InChIKeyQZVGIRSOKOZOLV-UHFFFAOYSA-N
MW249.39 g/mol
LogP4.60
Rot. Bonds2

About 2,4-dithiophen-2-yl-1,3-thiazole

2,4-dithiophen-2-yl-1,3-thiazole (PubChem CID 2546578) has the molecular formula C11H7NS3 and a molecular weight of 249.39 g/mol. Its IUPAC name is 2,4-dithiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2,4-dithiophen-2-yl-1,3-thiazole
PubChem CID2546578
Molecular FormulaC11H7NS3
Molecular Weight249.39 g/mol
Exact Mass248.97
IUPAC Name2,4-dithiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2csc(-c3cccs3)n2)c1
InChIInChI=1S/C11H7NS3/c1-3-9(13-5-1)8-7-15-11(12-8)10-4-2-6-14-10/h1-7H
InChIKeyQZVGIRSOKOZOLV-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Thienyl)-1,3-thiazol-2-amine
CID 243973
2-(2-Thienyl)benzothiazole
CID 290787
2-(2-Thienyl)-4-thiazolemethanamine
CID 2776321
4-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methyl}thiomorpholine
CID 2813472
2-[2,2']Bithiophenyl-5-yl-benzothiazole
CID 14748184
5-Methylsulfanyl-4-(4-thiophen-2-yl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536775
[5-(2-Methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine
CID 7130823
4-(5-Chlorothiophen-2-yl)-2-[(thiophene-2-sulfonyl)methyl]-1,3-thiazole hydrobromide
CID 2809433
4-(3,4-Difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole
CID 2741011
Thiazole, 2-phenyl-4-(2-thienyl)-
CID 2795747
4-(Chloromethyl)-2-(thiophen-2-yl)-1,3-thiazole
CID 736496
5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl Chloride
CID 2736979

Frequently Asked Questions

What is the IUPAC name of 2,4-dithiophen-2-yl-1,3-thiazole?
The IUPAC name of 2,4-dithiophen-2-yl-1,3-thiazole (CID 2546578) is 2,4-dithiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2,4-dithiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2,4-dithiophen-2-yl-1,3-thiazole is c1csc(-c2csc(-c3cccs3)n2)c1.
What is the InChIKey of 2,4-dithiophen-2-yl-1,3-thiazole?
The InChIKey is QZVGIRSOKOZOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS3/c1-3-9(13-5-1)8-7-15-11(12-8)10-4-2-6-14-10/h1-7H.
What are the key properties of 2,4-dithiophen-2-yl-1,3-thiazole?
2,4-dithiophen-2-yl-1,3-thiazole has a molecular weight of 249.39 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dithiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 2546578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).