N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine

C15H15N3S — CID 105097381

IUPACN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine
SMILESCNC(c1cnc2ccccc2c1)c1csc(C)n1
InChIInChI=1S/C15H15N3S/c1-10-18-14(9-19-10)15(16-2)12-7-11-5-3-4-6-13(11)17-8-12/h3-9,15-16H,1-2H3
InChIKeyKPRFZHCWXSSHKQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.31
Rot. Bonds3

About N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine (PubChem CID 105097381) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine
PubChem CID105097381
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine
SMILESCNC(c1cnc2ccccc2c1)c1csc(C)n1
InChIInChI=1S/C15H15N3S/c1-10-18-14(9-19-10)15(16-2)12-7-11-5-3-4-6-13(11)17-8-12/h3-9,15-16H,1-2H3
InChIKeyKPRFZHCWXSSHKQ-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylphenyl)-1-quinolin-3-ylmethanamine
CID 60924531
1-(6-methoxypyridazin-3-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 103374160
1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 60923508
1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115797603
1-(2,5-dimethylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798284
1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798023
1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105087852
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097865
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 81268272
1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105119293
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097449
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105142558

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine (CID 105097381) is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine is CNC(c1cnc2ccccc2c1)c1csc(C)n1.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine?
The InChIKey is KPRFZHCWXSSHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-18-14(9-19-10)15(16-2)12-7-11-5-3-4-6-13(11)17-8-12/h3-9,15-16H,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine?
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine is sourced from PubChem (CID 105097381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).