2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C17H17N3S — CID 79233270

IUPAC2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCc1cc(-c2nc3c(s2)C(N)CCC3)c2ccccc2n1
InChIInChI=1S/C17H17N3S/c1-10-9-12(11-5-2-3-7-14(11)19-10)17-20-15-8-4-6-13(18)16(15)21-17/h2-3,5,7,9,13H,4,6,8,18H2,1H3
InChIKeyWKBNPIMEGDPIIH-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.00
Rot. Bonds1

About 2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 79233270) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID79233270
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCc1cc(-c2nc3c(s2)C(N)CCC3)c2ccccc2n1
InChIInChI=1S/C17H17N3S/c1-10-9-12(11-5-2-3-7-14(11)19-10)17-20-15-8-4-6-13(18)16(15)21-17/h2-3,5,7,9,13H,4,6,8,18H2,1H3
InChIKeyWKBNPIMEGDPIIH-UHFFFAOYSA-N
XLogP4.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine 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 2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 79233270) is 2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is Cc1cc(-c2nc3c(s2)C(N)CCC3)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is WKBNPIMEGDPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-10-9-12(11-5-2-3-7-14(11)19-10)17-20-15-8-4-6-13(18)16(15)21-17/h2-3,5,7,9,13H,4,6,8,18H2,1H3.
What are the key properties of 2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 295.41 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 79233270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).