4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole

C25H18N2OS2 — CID 155562858

IUPAC4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccc(-c4csc(-c5ccccc5)n4)cc3)n2)cc1
InChIInChI=1S/C25H18N2OS2/c1-28-21-13-11-18(12-14-21)23-16-30-25(27-23)20-9-7-17(8-10-20)22-15-29-24(26-22)19-5-3-2-4-6-19/h2-16H,1H3
InChIKeyPRXMPBWEZZBYJR-UHFFFAOYSA-N
MW426.57 g/mol
LogP7.28
Rot. Bonds5

About 4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole

4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (PubChem CID 155562858) has the molecular formula C25H18N2OS2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
PubChem CID155562858
Molecular FormulaC25H18N2OS2
Molecular Weight426.57 g/mol
Exact Mass426.09
IUPAC Name4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccc(-c4csc(-c5ccccc5)n4)cc3)n2)cc1
InChIInChI=1S/C25H18N2OS2/c1-28-21-13-11-18(12-14-21)23-16-30-25(27-23)20-9-7-17(8-10-20)22-15-29-24(26-22)19-5-3-2-4-6-19/h2-16H,1H3
InChIKeyPRXMPBWEZZBYJR-UHFFFAOYSA-N
XLogP7.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.57
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (CID 155562858) is 4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is COc1ccc(-c2csc(-c3ccc(-c4csc(-c5ccccc5)n4)cc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The InChIKey is PRXMPBWEZZBYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2OS2/c1-28-21-13-11-18(12-14-21)23-16-30-25(27-23)20-9-7-17(8-10-20)22-15-29-24(26-22)19-5-3-2-4-6-19/h2-16H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole has a molecular weight of 426.57 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 155562858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).