1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine

C18H15N3S — CID 741414

IUPAC1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine
SMILESCc1nc2cc(/N=c3\ccc4ccccc4n3C)ccc2s1
InChIInChI=1S/C18H15N3S/c1-12-19-15-11-14(8-9-17(15)22-12)20-18-10-7-13-5-3-4-6-16(13)21(18)2/h3-11H,1-2H3/b20-18+
InChIKeyYEIKKJQQBIYSLL-CZIZESTLSA-N
MW305.41 g/mol
LogP4.33
Rot. Bonds1

About 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine

1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine (PubChem CID 741414) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine
PubChem CID741414
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine
SMILESCc1nc2cc(/N=c3\ccc4ccccc4n3C)ccc2s1
InChIInChI=1S/C18H15N3S/c1-12-19-15-11-14(8-9-17(15)22-12)20-18-10-7-13-5-3-4-6-16(13)21(18)2/h3-11H,1-2H3/b20-18+
InChIKeyYEIKKJQQBIYSLL-CZIZESTLSA-N
XLogP4.33
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine?
The IUPAC name of 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine (CID 741414) is 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine.
What is the SMILES notation for 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine?
The canonical SMILES for 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine is Cc1nc2cc(/N=c3\ccc4ccccc4n3C)ccc2s1.
What is the InChIKey of 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine?
The InChIKey is YEIKKJQQBIYSLL-CZIZESTLSA-N. The full InChI is InChI=1S/C18H15N3S/c1-12-19-15-11-14(8-9-17(15)22-12)20-18-10-7-13-5-3-4-6-16(13)21(18)2/h3-11H,1-2H3/b20-18+.
What are the key properties of 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine?
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine has a molecular weight of 305.41 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)quinolin-2-imine is sourced from PubChem (CID 741414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).