4-(1,2-benzothiazol-3-yloxy)-2-methylaniline

C14H12N2OS — CID 16772594

IUPAC4-(1,2-benzothiazol-3-yloxy)-2-methylaniline
SMILESCc1cc(Oc2nsc3ccccc23)ccc1N
InChIInChI=1S/C14H12N2OS/c1-9-8-10(6-7-12(9)15)17-14-11-4-2-3-5-13(11)18-16-14/h2-8H,15H2,1H3
InChIKeyBUBQKSCPLLTFFQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.98
Rot. Bonds2

About 4-(1,2-benzothiazol-3-yloxy)-2-methylaniline

4-(1,2-benzothiazol-3-yloxy)-2-methylaniline (PubChem CID 16772594) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(1,2-benzothiazol-3-yloxy)-2-methylaniline.

Molecular Properties

Compound Name4-(1,2-benzothiazol-3-yloxy)-2-methylaniline
PubChem CID16772594
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-(1,2-benzothiazol-3-yloxy)-2-methylaniline
SMILESCc1cc(Oc2nsc3ccccc23)ccc1N
InChIInChI=1S/C14H12N2OS/c1-9-8-10(6-7-12(9)15)17-14-11-4-2-3-5-13(11)18-16-14/h2-8H,15H2,1H3
InChIKeyBUBQKSCPLLTFFQ-UHFFFAOYSA-N
XLogP3.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-quinazolin-4-yloxyaniline
CID 60895454
2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375215
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409
4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
CID 139654231
4-(4-amino-3-methylphenoxy)phenol
CID 150102226
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
4-(4-ethylphenoxy)-2-methylaniline
CID 26190351
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline
CID 103204561
3-(4-amino-3-methylphenoxy)pyrazine-2-carbonitrile
CID 62672549
4-(4-amino-3-methylphenoxy)-2-methylbenzonitrile
CID 81279568
3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile
CID 80514822

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-benzothiazol-3-yloxy)-2-methylaniline?
The IUPAC name of 4-(1,2-benzothiazol-3-yloxy)-2-methylaniline (CID 16772594) is 4-(1,2-benzothiazol-3-yloxy)-2-methylaniline.
What is the SMILES notation for 4-(1,2-benzothiazol-3-yloxy)-2-methylaniline?
The canonical SMILES for 4-(1,2-benzothiazol-3-yloxy)-2-methylaniline is Cc1cc(Oc2nsc3ccccc23)ccc1N.
What is the InChIKey of 4-(1,2-benzothiazol-3-yloxy)-2-methylaniline?
The InChIKey is BUBQKSCPLLTFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-8-10(6-7-12(9)15)17-14-11-4-2-3-5-13(11)18-16-14/h2-8H,15H2,1H3.
What are the key properties of 4-(1,2-benzothiazol-3-yloxy)-2-methylaniline?
4-(1,2-benzothiazol-3-yloxy)-2-methylaniline has a molecular weight of 256.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-benzothiazol-3-yloxy)-2-methylaniline is sourced from PubChem (CID 16772594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).