N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine

C15H7BrCl3FN2S — CID 11134182

IUPACN-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1cc(-c2csc(Nc3ccc(Br)c(Cl)c3)n2)c(Cl)cc1Cl
InChIInChI=1S/C15H7BrCl3FN2S/c16-9-2-1-7(3-11(9)18)21-15-22-14(6-23-15)8-4-13(20)12(19)5-10(8)17/h1-6H,(H,21,22)
InChIKeyNHBSLLCZSPDFSM-UHFFFAOYSA-N
MW452.56 g/mol
LogP7.42
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine

N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 11134182) has the molecular formula C15H7BrCl3FN2S and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID11134182
Molecular FormulaC15H7BrCl3FN2S
Molecular Weight452.56 g/mol
Exact Mass449.86
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1cc(-c2csc(Nc3ccc(Br)c(Cl)c3)n2)c(Cl)cc1Cl
InChIInChI=1S/C15H7BrCl3FN2S/c16-9-2-1-7(3-11(9)18)21-15-22-14(6-23-15)8-4-13(20)12(19)5-10(8)17/h1-6H,(H,21,22)
InChIKeyNHBSLLCZSPDFSM-UHFFFAOYSA-N
XLogP7.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
CID 10157905
4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 10861139
4-(2-fluoro-5-methylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 71396303
5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 107615031
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
4-(2-bromo-5-chlorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 86657720
N-[[4-[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343278
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxothiolan-3-yl)-1,3-thiazol-2-amine
CID 122151696
[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174065

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine (CID 11134182) is N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine is Fc1cc(-c2csc(Nc3ccc(Br)c(Cl)c3)n2)c(Cl)cc1Cl.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is NHBSLLCZSPDFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrCl3FN2S/c16-9-2-1-7(3-11(9)18)21-15-22-14(6-23-15)8-4-13(20)12(19)5-10(8)17/h1-6H,(H,21,22).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine?
N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 452.56 g/mol, XLogP of 7.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 11134182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).