N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine

C15H8BrClF2N2S — CID 10157905

IUPACN-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(Nc3ccc(Br)c(Cl)c3)n2)cc1F
InChIInChI=1S/C15H8BrClF2N2S/c16-10-3-2-9(6-11(10)17)20-15-21-14(7-22-15)8-1-4-12(18)13(19)5-8/h1-7H,(H,20,21)
InChIKeyDDGOYNXDFWABSG-UHFFFAOYSA-N
MW401.66 g/mol
LogP6.25
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine

N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine (PubChem CID 10157905) has the molecular formula C15H8BrClF2N2S and a molecular weight of 401.66 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
PubChem CID10157905
Molecular FormulaC15H8BrClF2N2S
Molecular Weight401.66 g/mol
Exact Mass399.92
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(Nc3ccc(Br)c(Cl)c3)n2)cc1F
InChIInChI=1S/C15H8BrClF2N2S/c16-10-3-2-9(6-11(10)17)20-15-21-14(7-22-15)8-1-4-12(18)13(19)5-8/h1-7H,(H,20,21)
InChIKeyDDGOYNXDFWABSG-UHFFFAOYSA-N
XLogP6.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.66
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-(4-bromo-3-chlorophenyl)-4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine
CID 11134182
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
4-(3,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine
CID 58791311
4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23804659
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
N-[[4-[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343278
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine (CID 10157905) is N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine is Fc1ccc(-c2csc(Nc3ccc(Br)c(Cl)c3)n2)cc1F.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is DDGOYNXDFWABSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClF2N2S/c16-10-3-2-9(6-11(10)17)20-15-21-14(7-22-15)8-1-4-12(18)13(19)5-8/h1-7H,(H,20,21).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine?
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 401.66 g/mol, XLogP of 6.25, 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-(3,4-difluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 10157905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).