5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole

C20H16N2S2 — CID 10450447

IUPAC5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole
SMILESc1ccc(-c2cc(CCc3cc(-c4ccccc4)sn3)ns2)cc1
InChIInChI=1S/C20H16N2S2/c1-3-7-15(8-4-1)19-13-17(21-23-19)11-12-18-14-20(24-22-18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKeyWDJQQPVPOLSDBF-UHFFFAOYSA-N
MW348.50 g/mol
LogP5.72
Rot. Bonds5

About 5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole

5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole (PubChem CID 10450447) has the molecular formula C20H16N2S2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole.

Molecular Properties

Compound Name5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole
PubChem CID10450447
Molecular FormulaC20H16N2S2
Molecular Weight348.50 g/mol
Exact Mass348.08
IUPAC Name5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole
SMILESc1ccc(-c2cc(CCc3cc(-c4ccccc4)sn3)ns2)cc1
InChIInChI=1S/C20H16N2S2/c1-3-7-15(8-4-1)19-13-17(21-23-19)11-12-18-14-20(24-22-18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKeyWDJQQPVPOLSDBF-UHFFFAOYSA-N
XLogP5.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.50
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-phenyl-1,2-thiazole
CID 600269
5,5'-Diphenyl-3,3'-diisothiazole disulfide
CID 167252
3,5-Diphenyl-1,2-thiazole
CID 12234748
3-Ethyl-5-phenyl-1,2-thiazole
CID 10035412
3,4,5-Triphenyl-1,2-thiazole
CID 13048461
4-Bromo-3-(4-bromo-5-phenyl-1,2-thiazol-3-yl)-5-phenyl-1,2-thiazole
CID 16221591
5-Methyl-3-phenyl-1,2-thiazole
CID 12234747
5-(4-Methylphenyl)-4-[[5-(4-methylphenyl)-3-phenyl-1,2-thiazol-4-yl]disulfanyl]-3-phenyl-1,2-thiazole
CID 153535144
5-(4-Fluorophenyl)-3-phenyl-1,2-thiazole
CID 54299750
5-[4-[[(4E)-5-(2-fluorophenyl)-3-methyl-6-methylidenecyclooct-4-en-1-yl]methyl]phenyl]-3-methyl-1,2-thiazole
CID 144464658
3-(4-Fluorophenyl)-5-prop-2-enyl-1,2-thiazole
CID 151979900
3-(4-Fluorophenyl)-4-[[3-(4-fluorophenyl)-5-phenyl-1,2-thiazol-4-yl]disulfanyl]-5-phenyl-1,2-thiazole
CID 153535143

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole?
The IUPAC name of 5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole (CID 10450447) is 5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole.
What is the SMILES notation for 5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole?
The canonical SMILES for 5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole is c1ccc(-c2cc(CCc3cc(-c4ccccc4)sn3)ns2)cc1.
What is the InChIKey of 5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole?
The InChIKey is WDJQQPVPOLSDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S2/c1-3-7-15(8-4-1)19-13-17(21-23-19)11-12-18-14-20(24-22-18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2.
What are the key properties of 5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole?
5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole has a molecular weight of 348.50 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[2-(5-phenyl-1,2-thiazol-3-yl)ethyl]-1,2-thiazole is sourced from PubChem (CID 10450447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).