5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine

C16H16N2O2S — CID 43451511

IUPAC5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine
SMILESCCCOc1ccccc1Oc1ccc2scnc2c1N
InChIInChI=1S/C16H16N2O2S/c1-2-9-19-11-5-3-4-6-12(11)20-13-7-8-14-16(15(13)17)18-10-21-14/h3-8,10H,2,9,17H2,1H3
InChIKeyZONPIXLQKZSLOP-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.46
Rot. Bonds5

About 5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine

5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine (PubChem CID 43451511) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine
PubChem CID43451511
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine
SMILESCCCOc1ccccc1Oc1ccc2scnc2c1N
InChIInChI=1S/C16H16N2O2S/c1-2-9-19-11-5-3-4-6-12(11)20-13-7-8-14-16(15(13)17)18-10-21-14/h3-8,10H,2,9,17H2,1H3
InChIKeyZONPIXLQKZSLOP-UHFFFAOYSA-N
XLogP4.46
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzothiazol-4-amine
CID 112587112
5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine
CID 103176807
4-hexoxy-1,3-benzothiazole
CID 54068927
5-(4-methylsulfanylphenoxy)-1,3-benzothiazol-4-amine
CID 55246719
5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine
CID 43554637
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
5-[(5-chloro-3-pyridinyl)oxy]-1,3-benzothiazol-4-amine
CID 64599988
5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
CID 107259802
5-N-methyl-5-N-propyl-1,3-benzothiazole-4,5-diamine
CID 43451418
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062

Frequently Asked Questions

What is the IUPAC name of 5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine (CID 43451511) is 5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine is CCCOc1ccccc1Oc1ccc2scnc2c1N.
What is the InChIKey of 5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine?
The InChIKey is ZONPIXLQKZSLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-9-19-11-5-3-4-6-12(11)20-13-7-8-14-16(15(13)17)18-10-21-14/h3-8,10H,2,9,17H2,1H3.
What are the key properties of 5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine?
5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine has a molecular weight of 300.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43451511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).