1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C16H17N3S — CID 78943729

IUPAC1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1cc(CNCc2scnc2C)c2ccccc2n1
InChIInChI=1S/C16H17N3S/c1-11-7-13(14-5-3-4-6-15(14)19-11)8-17-9-16-12(2)18-10-20-16/h3-7,10,17H,8-9H2,1-2H3
InChIKeyPDMBYPBVDZBABU-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.60
Rot. Bonds4

About 1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 78943729) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID78943729
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1cc(CNCc2scnc2C)c2ccccc2n1
InChIInChI=1S/C16H17N3S/c1-11-7-13(14-5-3-4-6-15(14)19-11)8-17-9-16-12(2)18-10-20-16/h3-7,10,17H,8-9H2,1-2H3
InChIKeyPDMBYPBVDZBABU-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 115767728
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one
CID 63280022
1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978652
1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 113356209
1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78921551
1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55172060
N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 78957492
4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide
CID 63375237
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 79033204

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 78943729) is 1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1cc(CNCc2scnc2C)c2ccccc2n1.
What is the InChIKey of 1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is PDMBYPBVDZBABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-7-13(14-5-3-4-6-15(14)19-11)8-17-9-16-12(2)18-10-20-16/h3-7,10,17H,8-9H2,1-2H3.
What are the key properties of 1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 283.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 78943729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).