N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

C17H19N3S — CID 105169168

IUPACN-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccnc2ccccc12
InChIInChI=1S/C17H19N3S/c1-2-8-18-16(12-17-20-10-11-21-17)14-7-9-19-15-6-4-3-5-13(14)15/h3-7,9-11,16,18H,2,8,12H2,1H3
InChIKeyIRVPNOWAMRSNDE-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.97
Rot. Bonds6

About N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 105169168) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID105169168
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccnc2ccccc12
InChIInChI=1S/C17H19N3S/c1-2-8-18-16(12-17-20-10-11-21-17)14-7-9-19-15-6-4-3-5-13(14)15/h3-7,9-11,16,18H,2,8,12H2,1H3
InChIKeyIRVPNOWAMRSNDE-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]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

Related Compounds

3-methyl-N-propyl-1-quinolin-4-ylhexan-1-amine
CID 105137955
N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015291
N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
N-[1-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015002
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine
CID 105171422
N-propyl-2-quinolin-4-ylpentan-3-amine
CID 63560165
N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257
N-[1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169282
N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79823595
N-ethyl-2-pyridin-2-yl-1-quinolin-4-ylethanamine
CID 105158093
N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
CID 105169159

Frequently Asked Questions

What is the IUPAC name of N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 105169168) is N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)c1ccnc2ccccc12.
What is the InChIKey of N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is IRVPNOWAMRSNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-2-8-18-16(12-17-20-10-11-21-17)14-7-9-19-15-6-4-3-5-13(14)15/h3-7,9-11,16,18H,2,8,12H2,1H3.
What are the key properties of N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105169168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).