5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol

C10H7BrClFN2OS — CID 168584289

IUPAC5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol
SMILESOc1cc(Br)cc(F)c1NCc1cnc(Cl)s1
InChIInChI=1S/C10H7BrClFN2OS/c11-5-1-7(13)9(8(16)2-5)14-3-6-4-15-10(12)17-6/h1-2,4,14,16H,3H2
InChIKeyQIPDSHUBGJCZJH-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.02
Rot. Bonds3

About 5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol

5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol (PubChem CID 168584289) has the molecular formula C10H7BrClFN2OS and a molecular weight of 337.60 g/mol. Its IUPAC name is 5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol.

Molecular Properties

Compound Name5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol
PubChem CID168584289
Molecular FormulaC10H7BrClFN2OS
Molecular Weight337.60 g/mol
Exact Mass335.91
IUPAC Name5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol
SMILESOc1cc(Br)cc(F)c1NCc1cnc(Cl)s1
InChIInChI=1S/C10H7BrClFN2OS/c11-5-1-7(13)9(8(16)2-5)14-3-6-4-15-10(12)17-6/h1-2,4,14,16H,3H2
InChIKeyQIPDSHUBGJCZJH-UHFFFAOYSA-N
XLogP4.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168584230
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol
CID 168583445
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline
CID 168583939
4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168580141
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol
CID 168580346
2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol
CID 168581714
3,5-dibromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluorobenzoic acid
CID 168581375
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-4-iodoaniline
CID 168583459
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide
CID 168581306
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-6-(trifluoromethyl)aniline
CID 168582613
N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 65467042

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol?
The IUPAC name of 5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol (CID 168584289) is 5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol.
What is the SMILES notation for 5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol?
The canonical SMILES for 5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol is Oc1cc(Br)cc(F)c1NCc1cnc(Cl)s1.
What is the InChIKey of 5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol?
The InChIKey is QIPDSHUBGJCZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN2OS/c11-5-1-7(13)9(8(16)2-5)14-3-6-4-15-10(12)17-6/h1-2,4,14,16H,3H2.
What are the key properties of 5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol?
5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol has a molecular weight of 337.60 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol is sourced from PubChem (CID 168584289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).