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

C14H14BrFN2S — CID 63469707

IUPAC4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCC2)nc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C14H14BrFN2S/c15-10-7-9(5-6-11(10)16)12-13(17)19-14(18-12)8-3-1-2-4-8/h5-8H,1-4,17H2
InChIKeyBWBOJQLMFVIXQV-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.95
Rot. Bonds2

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

4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine (PubChem CID 63469707) has the molecular formula C14H14BrFN2S and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine
PubChem CID63469707
Molecular FormulaC14H14BrFN2S
Molecular Weight341.25 g/mol
Exact Mass340.00
IUPAC Name4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCC2)nc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C14H14BrFN2S/c15-10-7-9(5-6-11(10)16)12-13(17)19-14(18-12)8-3-1-2-4-8/h5-8H,1-4,17H2
InChIKeyBWBOJQLMFVIXQV-UHFFFAOYSA-N
XLogP4.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.95
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-cyclopentyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine (CID 63469707) is 4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine is Nc1sc(C2CCCC2)nc1-c1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine?
The InChIKey is BWBOJQLMFVIXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2S/c15-10-7-9(5-6-11(10)16)12-13(17)19-14(18-12)8-3-1-2-4-8/h5-8H,1-4,17H2.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine?
4-(3-bromo-4-fluorophenyl)-2-cyclopentyl-1,3-thiazol-5-amine has a molecular weight of 341.25 g/mol, XLogP of 4.95, 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-cyclopentyl-1,3-thiazol-5-amine is sourced from PubChem (CID 63469707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).