N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine

C15H10BrFN2S — CID 2185383

IUPACN-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(Nc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C15H10BrFN2S/c16-11-3-7-13(8-4-11)18-15-19-14(9-20-15)10-1-5-12(17)6-2-10/h1-9H,(H,18,19)
InChIKeyGJCNMVXIUMVYDI-UHFFFAOYSA-N
MW349.23 g/mol
LogP5.46
Rot. Bonds3

About N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine

N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 2185383) has the molecular formula C15H10BrFN2S and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID2185383
Molecular FormulaC15H10BrFN2S
Molecular Weight349.23 g/mol
Exact Mass347.97
IUPAC NameN-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(Nc3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C15H10BrFN2S/c16-11-3-7-13(8-4-11)18-15-19-14(9-20-15)10-1-5-12(17)6-2-10/h1-9H,(H,18,19)
InChIKeyGJCNMVXIUMVYDI-UHFFFAOYSA-N
XLogP5.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 2185383) is N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is Fc1ccc(-c2csc(Nc3ccc(Br)cc3)n2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is GJCNMVXIUMVYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2S/c16-11-3-7-13(8-4-11)18-15-19-14(9-20-15)10-1-5-12(17)6-2-10/h1-9H,(H,18,19).
What are the key properties of N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 349.23 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2185383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).