N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine

C17H19N3S — CID 133451845

IUPACN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine
SMILESCc1nc(CNc2c(C)c(C)nc3ccccc23)c(C)s1
InChIInChI=1S/C17H19N3S/c1-10-11(2)19-15-8-6-5-7-14(15)17(10)18-9-16-12(3)21-13(4)20-16/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyRSJDXTQHWOBEFE-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.54
Rot. Bonds3

About N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine (PubChem CID 133451845) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine
PubChem CID133451845
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine
SMILESCc1nc(CNc2c(C)c(C)nc3ccccc23)c(C)s1
InChIInChI=1S/C17H19N3S/c1-10-11(2)19-15-8-6-5-7-14(15)17(10)18-9-16-12(3)21-13(4)20-16/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyRSJDXTQHWOBEFE-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

ethane;N-ethyl-2,3-dimethylquinolin-4-amine
CID 142091780
ethyl 4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carboxylate
CID 133406275
2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
CID 133452088
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine
CID 133452203
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133406112
N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine
CID 166382360
1-[(2,3-dimethylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 75503246
3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one
CID 133452908
2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole
CID 173249504
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-methylsulfonylaniline
CID 133451850
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-6-nitroquinoline-4-carbonitrile
CID 133406244

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine?
The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine (CID 133451845) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine?
The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine is Cc1nc(CNc2c(C)c(C)nc3ccccc23)c(C)s1.
What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine?
The InChIKey is RSJDXTQHWOBEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-10-11(2)19-15-8-6-5-7-14(15)17(10)18-9-16-12(3)21-13(4)20-16/h5-8H,9H2,1-4H3,(H,18,19).
What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine?
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine has a molecular weight of 297.43 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine is sourced from PubChem (CID 133451845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).