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

C10H7Cl3N2OS — CID 168580497

IUPAC2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
SMILESOc1c(Cl)cc(NCc2cnc(Cl)s2)cc1Cl
InChIInChI=1S/C10H7Cl3N2OS/c11-7-1-5(2-8(12)9(7)16)14-3-6-4-15-10(13)17-6/h1-2,4,14,16H,3H2
InChIKeyWWHHEYKLLWGZCF-UHFFFAOYSA-N
MW309.61 g/mol
LogP4.42
Rot. Bonds3

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

2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol (PubChem CID 168580497) has the molecular formula C10H7Cl3N2OS and a molecular weight of 309.61 g/mol. Its IUPAC name is 2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
PubChem CID168580497
Molecular FormulaC10H7Cl3N2OS
Molecular Weight309.61 g/mol
Exact Mass307.93
IUPAC Name2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
SMILESOc1c(Cl)cc(NCc2cnc(Cl)s2)cc1Cl
InChIInChI=1S/C10H7Cl3N2OS/c11-7-1-5(2-8(12)9(7)16)14-3-6-4-15-10(13)17-6/h1-2,4,14,16H,3H2
InChIKeyWWHHEYKLLWGZCF-UHFFFAOYSA-N
XLogP4.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.61
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168584230
4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168580141
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]boronic acid
CID 168583966
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid
CID 168579616
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-iodo-5-(trifluoromethyl)aniline
CID 168580762
2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168581614
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoro-5-(trifluoromethyl)aniline
CID 168582780
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-bis(2,2,2-trifluoroethoxy)aniline
CID 168583320
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2,2-difluoroethoxy)aniline
CID 168581259
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-nitrophenol
CID 168579558

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol?
The IUPAC name of 2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol (CID 168580497) is 2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol?
The canonical SMILES for 2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol is Oc1c(Cl)cc(NCc2cnc(Cl)s2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol?
The InChIKey is WWHHEYKLLWGZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2OS/c11-7-1-5(2-8(12)9(7)16)14-3-6-4-15-10(13)17-6/h1-2,4,14,16H,3H2.
What are the key properties of 2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol?
2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol has a molecular weight of 309.61 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol is sourced from PubChem (CID 168580497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).