[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol

C17H19N3OS — CID 133388292

IUPAC[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol
SMILESCc1nc(CCNc2nc3ccccc3cc2CO)sc1C
InChIInChI=1S/C17H19N3OS/c1-11-12(2)22-16(19-11)7-8-18-17-14(10-21)9-13-5-3-4-6-15(13)20-17/h3-6,9,21H,7-8,10H2,1-2H3,(H,18,20)
InChIKeyNBPBEVLUDMQIEW-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.46
Rot. Bonds5

About [2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol

[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol (PubChem CID 133388292) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is [2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol
PubChem CID133388292
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol
SMILESCc1nc(CCNc2nc3ccccc3cc2CO)sc1C
InChIInChI=1S/C17H19N3OS/c1-11-12(2)22-16(19-11)7-8-18-17-14(10-21)9-13-5-3-4-6-15(13)20-17/h3-6,9,21H,7-8,10H2,1-2H3,(H,18,20)
InChIKeyNBPBEVLUDMQIEW-UHFFFAOYSA-N
XLogP3.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol 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-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 71870948
[2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol
CID 111469742
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline
CID 82119304
N-ethyl-3-propylquinolin-2-amine
CID 63232591
2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol
CID 133448200
4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82124919
[2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol
CID 133474779
ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 67890766
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
CID 133369314
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 82102705
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404655
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
CID 110739449

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol?
The IUPAC name of [2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol (CID 133388292) is [2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol?
The canonical SMILES for [2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol is Cc1nc(CCNc2nc3ccccc3cc2CO)sc1C.
What is the InChIKey of [2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol?
The InChIKey is NBPBEVLUDMQIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-12(2)22-16(19-11)7-8-18-17-14(10-21)9-13-5-3-4-6-15(13)20-17/h3-6,9,21H,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of [2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol?
[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol has a molecular weight of 313.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol is sourced from PubChem (CID 133388292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).