4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine

C15H16BrFN2S — CID 63469883

IUPAC4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCCC2)nc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C15H16BrFN2S/c16-11-8-10(6-7-12(11)17)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h6-9H,1-5,18H2
InChIKeyOESHBGBNFSLHDI-UHFFFAOYSA-N
MW355.28 g/mol
LogP5.34
Rot. Bonds2

About 4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine

4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine (PubChem CID 63469883) has the molecular formula C15H16BrFN2S and a molecular weight of 355.28 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine
PubChem CID63469883
Molecular FormulaC15H16BrFN2S
Molecular Weight355.28 g/mol
Exact Mass354.02
IUPAC Name4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCCC2)nc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C15H16BrFN2S/c16-11-8-10(6-7-12(11)17)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h6-9H,1-5,18H2
InChIKeyOESHBGBNFSLHDI-UHFFFAOYSA-N
XLogP5.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.28
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine (CID 63469883) is 4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine is Nc1sc(C2CCCCC2)nc1-c1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine?
The InChIKey is OESHBGBNFSLHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2S/c16-11-8-10(6-7-12(11)17)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h6-9H,1-5,18H2.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine?
4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine has a molecular weight of 355.28 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine is sourced from PubChem (CID 63469883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).