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

C16H12BrClN2OS — CID 168581714

IUPAC2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol
SMILESOc1ccccc1-c1cccc(Br)c1NCc1cnc(Cl)s1
InChIInChI=1S/C16H12BrClN2OS/c17-13-6-3-5-12(11-4-1-2-7-14(11)21)15(13)19-8-10-9-20-16(18)22-10/h1-7,9,19,21H,8H2
InChIKeyUKGOPZSCOZOCJP-UHFFFAOYSA-N
MW395.71 g/mol
LogP5.54
Rot. Bonds4

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

2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol (PubChem CID 168581714) has the molecular formula C16H12BrClN2OS and a molecular weight of 395.71 g/mol. Its IUPAC name is 2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol.

Molecular Properties

Compound Name2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol
PubChem CID168581714
Molecular FormulaC16H12BrClN2OS
Molecular Weight395.71 g/mol
Exact Mass393.95
IUPAC Name2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol
SMILESOc1ccccc1-c1cccc(Br)c1NCc1cnc(Cl)s1
InChIInChI=1S/C16H12BrClN2OS/c17-13-6-3-5-12(11-4-1-2-7-14(11)21)15(13)19-8-10-9-20-16(18)22-10/h1-7,9,19,21H,8H2
InChIKeyUKGOPZSCOZOCJP-UHFFFAOYSA-N
XLogP5.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.71
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-1-[(2-chloro-1,3-thiazol-5-yl)methylamino]anthracene-9,10-dione
CID 168580735
2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
CID 168583358
3-bromo-6-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168581710
4-bromo-1-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylanthracene-9,10-dione
CID 168583941
5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol
CID 168584289
2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide
CID 168581306
2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168581614
2-tert-butyl-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-methylaniline
CID 168583607
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline
CID 168583939
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-hydroxy-3-methylbenzonitrile
CID 168581115

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol?
The IUPAC name of 2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol (CID 168581714) is 2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol.
What is the SMILES notation for 2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol?
The canonical SMILES for 2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol is Oc1ccccc1-c1cccc(Br)c1NCc1cnc(Cl)s1.
What is the InChIKey of 2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol?
The InChIKey is UKGOPZSCOZOCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2OS/c17-13-6-3-5-12(11-4-1-2-7-14(11)21)15(13)19-8-10-9-20-16(18)22-10/h1-7,9,19,21H,8H2.
What are the key properties of 2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol?
2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol has a molecular weight of 395.71 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol is sourced from PubChem (CID 168581714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).