2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol

C18H21N3O2S — CID 177169613

IUPAC2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol
SMILESCCOc1ccc2nc(CN(CCO)Cc3cncs3)ccc2c1
InChIInChI=1S/C18H21N3O2S/c1-2-23-16-5-6-18-14(9-16)3-4-15(20-18)11-21(7-8-22)12-17-10-19-13-24-17/h3-6,9-10,13,22H,2,7-8,11-12H2,1H3
InChIKeyKOIDVWRCTDAZPK-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.08
Rot. Bonds8

About 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol

2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol (PubChem CID 177169613) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol
PubChem CID177169613
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol
SMILESCCOc1ccc2nc(CN(CCO)Cc3cncs3)ccc2c1
InChIInChI=1S/C18H21N3O2S/c1-2-23-16-5-6-18-14(9-16)3-4-15(20-18)11-21(7-8-22)12-17-10-19-13-24-17/h3-6,9-10,13,22H,2,7-8,11-12H2,1H3
InChIKeyKOIDVWRCTDAZPK-UHFFFAOYSA-N
XLogP3.08
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol
CID 107485139
6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 115924915
1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine
CID 77093431
4-(6-ethoxyquinolin-2-yl)-N,N-dimethylaniline
CID 125465220
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
2,6-diethoxyanthracene
CID 12651989
2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol
CID 46992581
(1S,5R,6S)-3-[(6-ethoxyquinolin-2-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137340638
2-[[2,6-bis(4-ethoxy-2-pyridinyl)-4-pyridinyl]-(2-hydroxyethyl)amino]ethanol
CID 58781431
[4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 72895024
8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 74248539
3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 156609769

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol (CID 177169613) is 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol is CCOc1ccc2nc(CN(CCO)Cc3cncs3)ccc2c1.
What is the InChIKey of 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol?
The InChIKey is KOIDVWRCTDAZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-2-23-16-5-6-18-14(9-16)3-4-15(20-18)11-21(7-8-22)12-17-10-19-13-24-17/h3-6,9-10,13,22H,2,7-8,11-12H2,1H3.
What are the key properties of 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol?
2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol has a molecular weight of 343.45 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxyquinolin-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethanol is sourced from PubChem (CID 177169613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).