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

C19H12Cl3N3OS — CID 3449148

IUPACN-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H12Cl3N3OS/c1-10-17(18(25-26-10)14-7-4-12(21)8-15(14)22)16-9-27-19(24-16)23-13-5-2-11(20)3-6-13/h2-9H,1H3,(H,23,24)
InChIKeyFAIRGZGFHXNYKC-UHFFFAOYSA-N
MW436.75 g/mol
LogP7.48
Rot. Bonds4

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

N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 3449148) has the molecular formula C19H12Cl3N3OS and a molecular weight of 436.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine
PubChem CID3449148
Molecular FormulaC19H12Cl3N3OS
Molecular Weight436.75 g/mol
Exact Mass434.98
IUPAC NameN-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H12Cl3N3OS/c1-10-17(18(25-26-10)14-7-4-12(21)8-15(14)22)16-9-27-19(24-16)23-13-5-2-11(20)3-6-13/h2-9H,1H3,(H,23,24)
InChIKeyFAIRGZGFHXNYKC-UHFFFAOYSA-N
XLogP7.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.75
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine (CID 3449148) is N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine is Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is FAIRGZGFHXNYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3OS/c1-10-17(18(25-26-10)14-7-4-12(21)8-15(14)22)16-9-27-19(24-16)23-13-5-2-11(20)3-6-13/h2-9H,1H3,(H,23,24).
What are the key properties of N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 436.75 g/mol, XLogP of 7.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 3449148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).