2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol

C10H7BrCl2N2OS — CID 168581614

IUPAC2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
SMILESOc1c(Br)cc(Cl)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C10H7BrCl2N2OS/c11-7-1-5(12)2-8(9(7)16)14-3-6-4-15-10(13)17-6/h1-2,4,14,16H,3H2
InChIKeyNPIHAQQFRMRKNF-UHFFFAOYSA-N
MW354.06 g/mol
LogP4.53
Rot. Bonds3

About 2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol

2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol (PubChem CID 168581614) has the molecular formula C10H7BrCl2N2OS and a molecular weight of 354.06 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
PubChem CID168581614
Molecular FormulaC10H7BrCl2N2OS
Molecular Weight354.06 g/mol
Exact Mass351.88
IUPAC Name2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
SMILESOc1c(Br)cc(Cl)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C10H7BrCl2N2OS/c11-7-1-5(12)2-8(9(7)16)14-3-6-4-15-10(13)17-6/h1-2,4,14,16H,3H2
InChIKeyNPIHAQQFRMRKNF-UHFFFAOYSA-N
XLogP4.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.06
LogP ≤ 54.53
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-bromo-2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168581043
2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168580497
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
5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
CID 168582775
2,4-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethylaniline
CID 168579882
3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168584230
4-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-iodo-3-methylaniline
CID 168582754
2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
CID 168583358
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenol
CID 168580519
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol
CID 168580346
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 168583195

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol?
The IUPAC name of 2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol (CID 168581614) is 2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol.
What is the SMILES notation for 2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol?
The canonical SMILES for 2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol is Oc1c(Br)cc(Cl)cc1NCc1cnc(Cl)s1.
What is the InChIKey of 2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol?
The InChIKey is NPIHAQQFRMRKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2OS/c11-7-1-5(12)2-8(9(7)16)14-3-6-4-15-10(13)17-6/h1-2,4,14,16H,3H2.
What are the key properties of 2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol?
2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol has a molecular weight of 354.06 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol is sourced from PubChem (CID 168581614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).