N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

C17H17N3S — CID 105379279

IUPACN-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc2cc(-c3nc(CNC4CC4)cs3)ccc2n1
InChIInChI=1S/C17H17N3S/c1-11-2-3-12-8-13(4-7-16(12)19-11)17-20-15(10-21-17)9-18-14-5-6-14/h2-4,7-8,10,14,18H,5-6,9H2,1H3
InChIKeyAKKQSNVJHUADAS-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.92
Rot. Bonds4

About N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 105379279) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID105379279
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC NameN-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc2cc(-c3nc(CNC4CC4)cs3)ccc2n1
InChIInChI=1S/C17H17N3S/c1-11-2-3-12-8-13(4-7-16(12)19-11)17-20-15(10-21-17)9-18-14-5-6-14/h2-4,7-8,10,14,18H,5-6,9H2,1H3
InChIKeyAKKQSNVJHUADAS-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine 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

N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 105379278
N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 105379277
N-[[2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55039282
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylcyclohexan-1-amine
CID 43407865
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281503
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine
CID 8558646
4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
CID 105378440
N-[[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 115528210
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 66423090

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 105379279) is N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is Cc1ccc2cc(-c3nc(CNC4CC4)cs3)ccc2n1.
What is the InChIKey of N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is AKKQSNVJHUADAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-11-2-3-12-8-13(4-7-16(12)19-11)17-20-15(10-21-17)9-18-14-5-6-14/h2-4,7-8,10,14,18H,5-6,9H2,1H3.
What are the key properties of N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 295.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 105379279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).