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

C18H14N2O2S2 — CID 1069448

IUPAC2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCOc1ccc(-c2nc3sc(-c4ccc(OC)cc4)nc3s2)cc1
InChIInChI=1S/C18H14N2O2S2/c1-21-13-7-3-11(4-8-13)15-19-17-18(23-15)20-16(24-17)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3
InChIKeyVAFUTAPLEGLTOX-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.10
Rot. Bonds4

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

2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 1069448) has the molecular formula C18H14N2O2S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID1069448
Molecular FormulaC18H14N2O2S2
Molecular Weight354.46 g/mol
Exact Mass354.05
IUPAC Name2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCOc1ccc(-c2nc3sc(-c4ccc(OC)cc4)nc3s2)cc1
InChIInChI=1S/C18H14N2O2S2/c1-21-13-7-3-11(4-8-13)15-19-17-18(23-15)20-16(24-17)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3
InChIKeyVAFUTAPLEGLTOX-UHFFFAOYSA-N
XLogP5.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 1069448) is 2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole is COc1ccc(-c2nc3sc(-c4ccc(OC)cc4)nc3s2)cc1.
What is the InChIKey of 2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is VAFUTAPLEGLTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S2/c1-21-13-7-3-11(4-8-13)15-19-17-18(23-15)20-16(24-17)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3.
What are the key properties of 2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 354.46 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 1069448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).