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

C20H15ClN2OS2 — CID 2142164

IUPAC2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)cc1
InChIInChI=1S/C20H15ClN2OS2/c1-24-16-8-4-14(5-9-16)18-12-26-20(23-18)10-19-22-17(11-25-19)13-2-6-15(21)7-3-13/h2-9,11-12H,10H2,1H3
InChIKeyYAJMZLXOOXYOAV-UHFFFAOYSA-N
MW398.94 g/mol
LogP6.19
Rot. Bonds5

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

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 2142164) has the molecular formula C20H15ClN2OS2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
PubChem CID2142164
Molecular FormulaC20H15ClN2OS2
Molecular Weight398.94 g/mol
Exact Mass398.03
IUPAC Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)cc1
InChIInChI=1S/C20H15ClN2OS2/c1-24-16-8-4-14(5-9-16)18-12-26-20(23-18)10-19-22-17(11-25-19)13-2-6-15(21)7-3-13/h2-9,11-12H,10H2,1H3
InChIKeyYAJMZLXOOXYOAV-UHFFFAOYSA-N
XLogP6.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.94
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole (CID 2142164) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is YAJMZLXOOXYOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS2/c1-24-16-8-4-14(5-9-16)18-12-26-20(23-18)10-19-22-17(11-25-19)13-2-6-15(21)7-3-13/h2-9,11-12H,10H2,1H3.
What are the key properties of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 398.94 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 2142164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).