4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline

C10H6BrCl2FN2S — CID 168580141

IUPAC4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
SMILESFc1cc(NCc2cnc(Cl)s2)cc(Cl)c1Br
InChIInChI=1S/C10H6BrCl2FN2S/c11-9-7(12)1-5(2-8(9)14)15-3-6-4-16-10(13)17-6/h1-2,4,15H,3H2
InChIKeyMFDZKHHDYLLYTM-UHFFFAOYSA-N
MW356.05 g/mol
LogP4.96
Rot. Bonds3

About 4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline

4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline (PubChem CID 168580141) has the molecular formula C10H6BrCl2FN2S and a molecular weight of 356.05 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
PubChem CID168580141
Molecular FormulaC10H6BrCl2FN2S
Molecular Weight356.05 g/mol
Exact Mass353.88
IUPAC Name4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
SMILESFc1cc(NCc2cnc(Cl)s2)cc(Cl)c1Br
InChIInChI=1S/C10H6BrCl2FN2S/c11-9-7(12)1-5(2-8(9)14)15-3-6-4-16-10(13)17-6/h1-2,4,15H,3H2
InChIKeyMFDZKHHDYLLYTM-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.05
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline 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

3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168584230
2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168580497
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoro-5-(trifluoromethyl)aniline
CID 168582780
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-4-iodoaniline
CID 168583459
1-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,6-difluorophenyl]piperidin-4-ol
CID 168580770
5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol
CID 168584289
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 168581627
5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-methylaniline
CID 168581114
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-iodo-5-(trifluoromethyl)aniline
CID 168580762
3-bromo-2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168581043
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline?
The IUPAC name of 4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline (CID 168580141) is 4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline.
What is the SMILES notation for 4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline?
The canonical SMILES for 4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline is Fc1cc(NCc2cnc(Cl)s2)cc(Cl)c1Br.
What is the InChIKey of 4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline?
The InChIKey is MFDZKHHDYLLYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2FN2S/c11-9-7(12)1-5(2-8(9)14)15-3-6-4-16-10(13)17-6/h1-2,4,15H,3H2.
What are the key properties of 4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline?
4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline has a molecular weight of 356.05 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline is sourced from PubChem (CID 168580141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).