4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol

C16H16N2O2S — CID 107803903

IUPAC4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2ccc3ncsc3c2)ccc1O
InChIInChI=1S/C16H16N2O2S/c1-10(11-3-6-14(19)15(7-11)20-2)18-12-4-5-13-16(8-12)21-9-17-13/h3-10,18-19H,1-2H3
InChIKeyYOGICWXEMLJYNG-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.18
Rot. Bonds4

About 4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol

4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol (PubChem CID 107803903) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol
PubChem CID107803903
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2ccc3ncsc3c2)ccc1O
InChIInChI=1S/C16H16N2O2S/c1-10(11-3-6-14(19)15(7-11)20-2)18-12-4-5-13-16(8-12)21-9-17-13/h3-10,18-19H,1-2H3
InChIKeyYOGICWXEMLJYNG-UHFFFAOYSA-N
XLogP4.18
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 107803950
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine
CID 103936344
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672
4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 107572080
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
CID 107679206
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
2-[1-(1,3-benzothiazol-6-ylamino)propyl]-4-bromophenol
CID 107803859
N-[3-[(1R)-1-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-1,3-benzothiazol-6-amine
CID 169133018
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803759

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol (CID 107803903) is 4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol is COc1cc(C(C)Nc2ccc3ncsc3c2)ccc1O.
What is the InChIKey of 4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol?
The InChIKey is YOGICWXEMLJYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10(11-3-6-14(19)15(7-11)20-2)18-12-4-5-13-16(8-12)21-9-17-13/h3-10,18-19H,1-2H3.
What are the key properties of 4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol?
4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol has a molecular weight of 300.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 107803903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).