N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine

C19H11Cl4N3OS — CID 2746447

IUPACN-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H11Cl4N3OS/c1-9-16(17(26-27-9)11-6-5-10(20)7-14(11)23)15-8-28-19(24-15)25-18-12(21)3-2-4-13(18)22/h2-8H,1H3,(H,24,25)
InChIKeyZWYLNRCIKPUSID-UHFFFAOYSA-N
MW471.20 g/mol
LogP8.13
Rot. Bonds4

About N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine

N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 2746447) has the molecular formula C19H11Cl4N3OS and a molecular weight of 471.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine
PubChem CID2746447
Molecular FormulaC19H11Cl4N3OS
Molecular Weight471.20 g/mol
Exact Mass468.94
IUPAC NameN-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H11Cl4N3OS/c1-9-16(17(26-27-9)11-6-5-10(20)7-14(11)23)15-8-28-19(24-15)25-18-12(21)3-2-4-13(18)22/h2-8H,1H3,(H,24,25)
InChIKeyZWYLNRCIKPUSID-UHFFFAOYSA-N
XLogP8.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.20
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine (CID 2746447) is N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine is Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is ZWYLNRCIKPUSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4N3OS/c1-9-16(17(26-27-9)11-6-5-10(20)7-14(11)23)15-8-28-19(24-15)25-18-12(21)3-2-4-13(18)22/h2-8H,1H3,(H,24,25).
What are the key properties of N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine?
N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 471.20 g/mol, XLogP of 8.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2746447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).