N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H7BrF2N2S — CID 43347853

IUPACN-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(F)c(NC2=NCCS2)c(Br)c1
InChIInChI=1S/C9H7BrF2N2S/c10-6-3-5(11)4-7(12)8(6)14-9-13-1-2-15-9/h3-4H,1-2H2,(H,13,14)
InChIKeyJMQJBCJUPKLQOB-UHFFFAOYSA-N
MW293.14 g/mol
LogP3.24
Rot. Bonds1

About N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43347853) has the molecular formula C9H7BrF2N2S and a molecular weight of 293.14 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43347853
Molecular FormulaC9H7BrF2N2S
Molecular Weight293.14 g/mol
Exact Mass291.95
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(F)c(NC2=NCCS2)c(Br)c1
InChIInChI=1S/C9H7BrF2N2S/c10-6-3-5(11)4-7(12)8(6)14-9-13-1-2-15-9/h3-4H,1-2H2,(H,13,14)
InChIKeyJMQJBCJUPKLQOB-UHFFFAOYSA-N
XLogP3.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43347853) is N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Fc1cc(F)c(NC2=NCCS2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JMQJBCJUPKLQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2S/c10-6-3-5(11)4-7(12)8(6)14-9-13-1-2-15-9/h3-4H,1-2H2,(H,13,14).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 293.14 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43347853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).