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

C21H18N2S2 — CID 2346006

IUPAC4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
SMILESCc1ccc(-c2csc(Cc3nc(-c4ccc(C)cc4)cs3)n2)cc1
InChIInChI=1S/C21H18N2S2/c1-14-3-7-16(8-4-14)18-12-24-20(22-18)11-21-23-19(13-25-21)17-9-5-15(2)6-10-17/h3-10,12-13H,11H2,1-2H3
InChIKeyDRVZXZHARHVFEW-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.14
Rot. Bonds4

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

4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole (PubChem CID 2346006) has the molecular formula C21H18N2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
PubChem CID2346006
Molecular FormulaC21H18N2S2
Molecular Weight362.52 g/mol
Exact Mass362.09
IUPAC Name4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
SMILESCc1ccc(-c2csc(Cc3nc(-c4ccc(C)cc4)cs3)n2)cc1
InChIInChI=1S/C21H18N2S2/c1-14-3-7-16(8-4-14)18-12-24-20(22-18)11-21-23-19(13-25-21)17-9-5-15(2)6-10-17/h3-10,12-13H,11H2,1-2H3
InChIKeyDRVZXZHARHVFEW-UHFFFAOYSA-N
XLogP6.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole (CID 2346006) is 4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole is Cc1ccc(-c2csc(Cc3nc(-c4ccc(C)cc4)cs3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The InChIKey is DRVZXZHARHVFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2S2/c1-14-3-7-16(8-4-14)18-12-24-20(22-18)11-21-23-19(13-25-21)17-9-5-15(2)6-10-17/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole has a molecular weight of 362.52 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 2346006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).