N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C10H9BrClFN2S — CID 107614073

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2c(Cl)cc(F)cc2Br)S1
InChIInChI=1S/C10H9BrClFN2S/c1-5-4-14-10(16-5)15-9-7(11)2-6(13)3-8(9)12/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyZKWNXSWNFQFKPV-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.14
Rot. Bonds1

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

N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107614073) has the molecular formula C10H9BrClFN2S and a molecular weight of 323.62 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107614073
Molecular FormulaC10H9BrClFN2S
Molecular Weight323.62 g/mol
Exact Mass321.93
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2c(Cl)cc(F)cc2Br)S1
InChIInChI=1S/C10H9BrClFN2S/c1-5-4-14-10(16-5)15-9-7(11)2-6(13)3-8(9)12/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyZKWNXSWNFQFKPV-UHFFFAOYSA-N
XLogP4.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 107614073) is N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(Nc2c(Cl)cc(F)cc2Br)S1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZKWNXSWNFQFKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFN2S/c1-5-4-14-10(16-5)15-9-7(11)2-6(13)3-8(9)12/h2-3,5H,4H2,1H3,(H,14,15).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 323.62 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107614073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).