5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole

C22H20N2S2 — CID 2129747

IUPAC5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
SMILESCc1sc(CCc2nc(-c3ccccc3)c(C)s2)nc1-c1ccccc1
InChIInChI=1S/C22H20N2S2/c1-15-21(17-9-5-3-6-10-17)23-19(25-15)13-14-20-24-22(16(2)26-20)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKeyXTDIYFYSFRNGKB-UHFFFAOYSA-N
MW376.55 g/mol
LogP6.34
Rot. Bonds5

About 5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole

5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole (PubChem CID 2129747) has the molecular formula C22H20N2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
PubChem CID2129747
Molecular FormulaC22H20N2S2
Molecular Weight376.55 g/mol
Exact Mass376.11
IUPAC Name5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
SMILESCc1sc(CCc2nc(-c3ccccc3)c(C)s2)nc1-c1ccccc1
InChIInChI=1S/C22H20N2S2/c1-15-21(17-9-5-3-6-10-17)23-19(25-15)13-14-20-24-22(16(2)26-20)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKeyXTDIYFYSFRNGKB-UHFFFAOYSA-N
XLogP6.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole (CID 2129747) is 5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole is Cc1sc(CCc2nc(-c3ccccc3)c(C)s2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole?
The InChIKey is XTDIYFYSFRNGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2S2/c1-15-21(17-9-5-3-6-10-17)23-19(25-15)13-14-20-24-22(16(2)26-20)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole?
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole has a molecular weight of 376.55 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 2129747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).