5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine

C16H16N2O2S — CID 43450646

IUPAC5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine
SMILESCCOc1ccc(Oc2cc3nc(C)sc3cc2N)cc1
InChIInChI=1S/C16H16N2O2S/c1-3-19-11-4-6-12(7-5-11)20-15-9-14-16(8-13(15)17)21-10(2)18-14/h4-9H,3,17H2,1-2H3
InChIKeyVTUAGOOPNVYYRQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.38
Rot. Bonds4

About 5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine

5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 43450646) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID43450646
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine
SMILESCCOc1ccc(Oc2cc3nc(C)sc3cc2N)cc1
InChIInChI=1S/C16H16N2O2S/c1-3-19-11-4-6-12(7-5-11)20-15-9-14-16(8-13(15)17)21-10(2)18-14/h4-9H,3,17H2,1-2H3
InChIKeyVTUAGOOPNVYYRQ-UHFFFAOYSA-N
XLogP4.38
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.38
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-(4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450665
2-methyl-5-pyridin-3-yloxy-1,3-benzothiazol-6-amine
CID 43382999
5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450725
5-(3-chloro-4-fluorophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 63878978
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
5-heptoxy-2-methyl-1,3-benzothiazol-6-amine
CID 43450718
2-methyl-5-(2-propoxyethoxy)-1,3-benzothiazol-6-amine
CID 63686878
5-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzothiazol-6-amine
CID 82827800
2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine
CID 43450717
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599
diethyl sulfate;6-ethoxy-2-methyl-1,3-benzothiazole
CID 157280824
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine (CID 43450646) is 5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine is CCOc1ccc(Oc2cc3nc(C)sc3cc2N)cc1.
What is the InChIKey of 5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is VTUAGOOPNVYYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-19-11-4-6-12(7-5-11)20-15-9-14-16(8-13(15)17)21-10(2)18-14/h4-9H,3,17H2,1-2H3.
What are the key properties of 5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine?
5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 300.38 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43450646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).