2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine

C17H19N3S — CID 63096520

IUPAC2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(-c2ccc3ncccc3c2)s1
InChIInChI=1S/C17H19N3S/c1-12(2)9-18-10-15-11-20-17(21-15)14-5-6-16-13(8-14)4-3-7-19-16/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyARERSORVQWKJCV-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.10
Rot. Bonds5

About 2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine

2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 63096520) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID63096520
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(-c2ccc3ncccc3c2)s1
InChIInChI=1S/C17H19N3S/c1-12(2)9-18-10-15-11-20-17(21-15)14-5-6-16-13(8-14)4-3-7-19-16/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyARERSORVQWKJCV-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-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-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 63096520) is 2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is CC(C)CNCc1cnc(-c2ccc3ncccc3c2)s1.
What is the InChIKey of 2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is ARERSORVQWKJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12(2)9-18-10-15-11-20-17(21-15)14-5-6-16-13(8-14)4-3-7-19-16/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 63096520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).