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

C14H17BrClFN2S — CID 107614075

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(Nc2c(Cl)cc(F)cc2Br)S1
InChIInChI=1S/C14H17BrClFN2S/c1-14(2,3)6-9-7-18-13(20-9)19-12-10(15)4-8(17)5-11(12)16/h4-5,9H,6-7H2,1-3H3,(H,18,19)
InChIKeyJKUFFRLOMLDLHK-UHFFFAOYSA-N
MW379.73 g/mol
LogP5.56
Rot. Bonds2

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

N-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107614075) has the molecular formula C14H17BrClFN2S and a molecular weight of 379.73 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107614075
Molecular FormulaC14H17BrClFN2S
Molecular Weight379.73 g/mol
Exact Mass378.00
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(Nc2c(Cl)cc(F)cc2Br)S1
InChIInChI=1S/C14H17BrClFN2S/c1-14(2,3)6-9-7-18-13(20-9)19-12-10(15)4-8(17)5-11(12)16/h4-5,9H,6-7H2,1-3H3,(H,18,19)
InChIKeyJKUFFRLOMLDLHK-UHFFFAOYSA-N
XLogP5.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.73
LogP ≤ 55.56
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-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107614075) is N-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(Nc2c(Cl)cc(F)cc2Br)S1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JKUFFRLOMLDLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFN2S/c1-14(2,3)6-9-7-18-13(20-9)19-12-10(15)4-8(17)5-11(12)16/h4-5,9H,6-7H2,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 379.73 g/mol, XLogP of 5.56, 2 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-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107614075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).