1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine

C15H11ClN2OS — CID 90786870

IUPAC1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine
SMILESCON=C(c1cccc(Cl)c1)c1ccc2ncsc2c1
InChIInChI=1S/C15H11ClN2OS/c1-19-18-15(10-3-2-4-12(16)7-10)11-5-6-13-14(8-11)20-9-17-13/h2-9H,1H3
InChIKeyHTVPYEKDJZMPBW-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.35
Rot. Bonds3

About 1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine

1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine (PubChem CID 90786870) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine
PubChem CID90786870
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine
SMILESCON=C(c1cccc(Cl)c1)c1ccc2ncsc2c1
InChIInChI=1S/C15H11ClN2OS/c1-19-18-15(10-3-2-4-12(16)7-10)11-5-6-13-14(8-11)20-9-17-13/h2-9H,1H3
InChIKeyHTVPYEKDJZMPBW-UHFFFAOYSA-N
XLogP4.35
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine (CID 90786870) is 1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine is CON=C(c1cccc(Cl)c1)c1ccc2ncsc2c1.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine?
The InChIKey is HTVPYEKDJZMPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-19-18-15(10-3-2-4-12(16)7-10)11-5-6-13-14(8-11)20-9-17-13/h2-9H,1H3.
What are the key properties of 1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine?
1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine has a molecular weight of 302.79 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)-1-(3-chlorophenyl)-N-methoxymethanimine is sourced from PubChem (CID 90786870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).