2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol

C10H9ClN2O2S — CID 168582764

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
SMILESOc1ccc(O)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C10H9ClN2O2S/c11-10-13-5-7(16-10)4-12-8-3-6(14)1-2-9(8)15/h1-3,5,12,14-15H,4H2
InChIKeyVOHJYXDZDIUWKX-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.82
Rot. Bonds3

About 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol

2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol (PubChem CID 168582764) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
PubChem CID168582764
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
SMILESOc1ccc(O)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C10H9ClN2O2S/c11-10-13-5-7(16-10)4-12-8-3-6(14)1-2-9(8)15/h1-3,5,12,14-15H,4H2
InChIKeyVOHJYXDZDIUWKX-UHFFFAOYSA-N
XLogP2.82
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168581614
2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944
4-[4-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperazin-1-yl]phenol
CID 168580131
2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168580497
1-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxyphenyl]ethanone
CID 168580226
N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine
CID 168580256
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-hydroxy-3-methylbenzonitrile
CID 168581115
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-nitrophenol
CID 168579558
5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol
CID 168584289

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol (CID 168582764) is 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol is Oc1ccc(O)c(NCc2cnc(Cl)s2)c1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol?
The InChIKey is VOHJYXDZDIUWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c11-10-13-5-7(16-10)4-12-8-3-6(14)1-2-9(8)15/h1-3,5,12,14-15H,4H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol?
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol has a molecular weight of 256.71 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol is sourced from PubChem (CID 168582764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).