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

C20H16N2S2 — CID 16566864

IUPAC2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(-c2csc(Cc3nc(-c4ccccc4)cs3)n2)cc1
InChIInChI=1S/C20H16N2S2/c1-14-7-9-16(10-8-14)18-13-24-20(22-18)11-19-21-17(12-23-19)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyNEKJUQUMUNLEJB-UHFFFAOYSA-N
MW348.50 g/mol
LogP5.83
Rot. Bonds4

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

2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole (PubChem CID 16566864) has the molecular formula C20H16N2S2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
PubChem CID16566864
Molecular FormulaC20H16N2S2
Molecular Weight348.50 g/mol
Exact Mass348.08
IUPAC Name2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(-c2csc(Cc3nc(-c4ccccc4)cs3)n2)cc1
InChIInChI=1S/C20H16N2S2/c1-14-7-9-16(10-8-14)18-13-24-20(22-18)11-19-21-17(12-23-19)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyNEKJUQUMUNLEJB-UHFFFAOYSA-N
XLogP5.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387
2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 79817066
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 79817613
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole
CID 79817242

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole (CID 16566864) is 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole is Cc1ccc(-c2csc(Cc3nc(-c4ccccc4)cs3)n2)cc1.
What is the InChIKey of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole?
The InChIKey is NEKJUQUMUNLEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S2/c1-14-7-9-16(10-8-14)18-13-24-20(22-18)11-19-21-17(12-23-19)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3.
What are the key properties of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole?
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole has a molecular weight of 348.50 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 16566864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).