2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole

C20H18N2S2 — CID 4009142

IUPAC2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCCc1ccc(-c2nc3sc(-c4ccc(CC)cc4)nc3s2)cc1
InChIInChI=1S/C20H18N2S2/c1-3-13-5-9-15(10-6-13)17-21-19-20(23-17)22-18(24-19)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3
InChIKeyMBCAKGPJGXCGLV-UHFFFAOYSA-N
MW350.51 g/mol
LogP6.21
Rot. Bonds4

About 2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole

2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 4009142) has the molecular formula C20H18N2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID4009142
Molecular FormulaC20H18N2S2
Molecular Weight350.51 g/mol
Exact Mass350.09
IUPAC Name2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCCc1ccc(-c2nc3sc(-c4ccc(CC)cc4)nc3s2)cc1
InChIInChI=1S/C20H18N2S2/c1-3-13-5-9-15(10-6-13)17-21-19-20(23-17)22-18(24-19)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3
InChIKeyMBCAKGPJGXCGLV-UHFFFAOYSA-N
XLogP6.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 4009142) is 2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole is CCc1ccc(-c2nc3sc(-c4ccc(CC)cc4)nc3s2)cc1.
What is the InChIKey of 2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is MBCAKGPJGXCGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2S2/c1-3-13-5-9-15(10-6-13)17-21-19-20(23-17)22-18(24-19)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3.
What are the key properties of 2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 350.51 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-ethylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 4009142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).