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

C13H15BrF2N2S — CID 102854296

IUPACN-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2cc(Br)c(F)cc2F)=N1
InChIInChI=1S/C13H15BrF2N2S/c1-7(2)3-8-6-19-13(17-8)18-12-4-9(14)10(15)5-11(12)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18)
InChIKeyTVEQSRFIRDPIOP-UHFFFAOYSA-N
MW349.24 g/mol
LogP4.66
Rot. Bonds3

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

N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 102854296) has the molecular formula C13H15BrF2N2S and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID102854296
Molecular FormulaC13H15BrF2N2S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2cc(Br)c(F)cc2F)=N1
InChIInChI=1S/C13H15BrF2N2S/c1-7(2)3-8-6-19-13(17-8)18-12-4-9(14)10(15)5-11(12)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18)
InChIKeyTVEQSRFIRDPIOP-UHFFFAOYSA-N
XLogP4.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 102854296) is N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(Nc2cc(Br)c(F)cc2F)=N1.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is TVEQSRFIRDPIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2S/c1-7(2)3-8-6-19-13(17-8)18-12-4-9(14)10(15)5-11(12)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 349.24 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 102854296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).