4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole

C18H15Cl2NS2 — CID 46083520

IUPAC4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole
SMILESCc1ccc(Cc2nc(CSc3c(Cl)cccc3Cl)cs2)cc1
InChIInChI=1S/C18H15Cl2NS2/c1-12-5-7-13(8-6-12)9-17-21-14(10-22-17)11-23-18-15(19)3-2-4-16(18)20/h2-8,10H,9,11H2,1H3
InChIKeyWVANLTSBSSGLEP-UHFFFAOYSA-N
MW380.37 g/mol
LogP6.64
Rot. Bonds5

About 4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole

4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole (PubChem CID 46083520) has the molecular formula C18H15Cl2NS2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole
PubChem CID46083520
Molecular FormulaC18H15Cl2NS2
Molecular Weight380.37 g/mol
Exact Mass379.00
IUPAC Name4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole
SMILESCc1ccc(Cc2nc(CSc3c(Cl)cccc3Cl)cs2)cc1
InChIInChI=1S/C18H15Cl2NS2/c1-12-5-7-13(8-6-12)9-17-21-14(10-22-17)11-23-18-15(19)3-2-4-16(18)20/h2-8,10H,9,11H2,1H3
InChIKeyWVANLTSBSSGLEP-UHFFFAOYSA-N
XLogP6.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole (CID 46083520) is 4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole is Cc1ccc(Cc2nc(CSc3c(Cl)cccc3Cl)cs2)cc1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole?
The InChIKey is WVANLTSBSSGLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NS2/c1-12-5-7-13(8-6-12)9-17-21-14(10-22-17)11-23-18-15(19)3-2-4-16(18)20/h2-8,10H,9,11H2,1H3.
What are the key properties of 4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole?
4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole has a molecular weight of 380.37 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)sulfanylmethyl]-2-[(4-methylphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 46083520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).