4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline

C15H16N2OS — CID 45357215

IUPAC4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline
SMILESCNc1ccc(C2Nc3ccc(OC)cc3S2)cc1
InChIInChI=1S/C15H16N2OS/c1-16-11-5-3-10(4-6-11)15-17-13-8-7-12(18-2)9-14(13)19-15/h3-9,15-17H,1-2H3
InChIKeyVYHLQZIYOCNHRA-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.95
Rot. Bonds3

About 4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline

4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline (PubChem CID 45357215) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline
PubChem CID45357215
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline
SMILESCNc1ccc(C2Nc3ccc(OC)cc3S2)cc1
InChIInChI=1S/C15H16N2OS/c1-16-11-5-3-10(4-6-11)15-17-13-8-7-12(18-2)9-14(13)19-15/h3-9,15-17H,1-2H3
InChIKeyVYHLQZIYOCNHRA-UHFFFAOYSA-N
XLogP3.95
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline?
The IUPAC name of 4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline (CID 45357215) is 4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline?
The canonical SMILES for 4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline is CNc1ccc(C2Nc3ccc(OC)cc3S2)cc1.
What is the InChIKey of 4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline?
The InChIKey is VYHLQZIYOCNHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-16-11-5-3-10(4-6-11)15-17-13-8-7-12(18-2)9-14(13)19-15/h3-9,15-17H,1-2H3.
What are the key properties of 4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline?
4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline is sourced from PubChem (CID 45357215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).