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

C10H8ClFN2OS — CID 168580346

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol
SMILESOc1cc(F)ccc1NCc1cnc(Cl)s1
InChIInChI=1S/C10H8ClFN2OS/c11-10-14-5-7(16-10)4-13-8-2-1-6(12)3-9(8)15/h1-3,5,13,15H,4H2
InChIKeyOSEOGPXPYLXRPK-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.25
Rot. Bonds3

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

2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol (PubChem CID 168580346) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol
PubChem CID168580346
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol
SMILESOc1cc(F)ccc1NCc1cnc(Cl)s1
InChIInChI=1S/C10H8ClFN2OS/c11-10-14-5-7(16-10)4-13-8-2-1-6(12)3-9(8)15/h1-3,5,13,15H,4H2
InChIKeyOSEOGPXPYLXRPK-UHFFFAOYSA-N
XLogP3.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.25
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

2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenyl]-phenylmethanone
CID 168580202
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide
CID 168579813
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-5-fluoroaniline
CID 168581269
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenol
CID 168580519
2-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-1-N-(3-methoxypropyl)benzene-1,2-diamine
CID 168581737
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline
CID 168584069
3-bromo-2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168581043
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline
CID 168582121
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-chloro-4-fluoroaniline
CID 63120671

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol (CID 168580346) is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol is Oc1cc(F)ccc1NCc1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol?
The InChIKey is OSEOGPXPYLXRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c11-10-14-5-7(16-10)4-13-8-2-1-6(12)3-9(8)15/h1-3,5,13,15H,4H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol?
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol has a molecular weight of 258.70 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol is sourced from PubChem (CID 168580346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).