2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol

C11H11ClN2OS — CID 107678452

IUPAC2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
SMILESCC(Nc1ccc(O)c(Cl)c1)c1cncs1
InChIInChI=1S/C11H11ClN2OS/c1-7(11-5-13-6-16-11)14-8-2-3-10(15)9(12)4-8/h2-7,14-15H,1H3
InChIKeyAYGQRDLPJNMUMJ-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.68
Rot. Bonds3

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

2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol (PubChem CID 107678452) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol.

Molecular Properties

Compound Name2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
PubChem CID107678452
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
SMILESCC(Nc1ccc(O)c(Cl)c1)c1cncs1
InChIInChI=1S/C11H11ClN2OS/c1-7(11-5-13-6-16-11)14-8-2-3-10(15)9(12)4-8/h2-7,14-15H,1H3
InChIKeyAYGQRDLPJNMUMJ-UHFFFAOYSA-N
XLogP3.68
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.68
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-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
CID 115917200
[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea
CID 115928663
2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 115917264
4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 103582106
3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917806
N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 115928799
3-bromo-N-[1-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 107335996
3-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]benzonitrile
CID 114003385
4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115922548
2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol
CID 107678609
2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 107678355

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol?
The IUPAC name of 2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol (CID 107678452) is 2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol.
What is the SMILES notation for 2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol?
The canonical SMILES for 2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol is CC(Nc1ccc(O)c(Cl)c1)c1cncs1.
What is the InChIKey of 2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol?
The InChIKey is AYGQRDLPJNMUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7(11-5-13-6-16-11)14-8-2-3-10(15)9(12)4-8/h2-7,14-15H,1H3.
What are the key properties of 2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol?
2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol has a molecular weight of 254.74 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol is sourced from PubChem (CID 107678452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).