N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C14H16BrFN2S — CID 66423104

IUPACN-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(-c2cc(F)cc(Br)c2)s1
InChIInChI=1S/C14H16BrFN2S/c1-9(2)6-17-7-13-8-18-14(19-13)10-3-11(15)5-12(16)4-10/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyOEUOEOXWSVXDNM-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.46
Rot. Bonds5

About N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66423104) has the molecular formula C14H16BrFN2S and a molecular weight of 343.27 g/mol. Its IUPAC name is N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID66423104
Molecular FormulaC14H16BrFN2S
Molecular Weight343.27 g/mol
Exact Mass342.02
IUPAC NameN-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(-c2cc(F)cc(Br)c2)s1
InChIInChI=1S/C14H16BrFN2S/c1-9(2)6-17-7-13-8-18-14(19-13)10-3-11(15)5-12(16)4-10/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyOEUOEOXWSVXDNM-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 66424484
N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404972
N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 81277433
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404638
2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63096520
N-[3-[5-(3-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184536
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55079087
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 55070550
N-[[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368711
N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404813

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 66423104) is N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(-c2cc(F)cc(Br)c2)s1.
What is the InChIKey of N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is OEUOEOXWSVXDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2S/c1-9(2)6-17-7-13-8-18-14(19-13)10-3-11(15)5-12(16)4-10/h3-5,8-9,17H,6-7H2,1-2H3.
What are the key properties of N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 343.27 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66423104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).