5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine

C13H13N3OS — CID 96710399

IUPAC5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
SMILESCCOc1cc2sc(NC)nc2c2cccnc12
InChIInChI=1S/C13H13N3OS/c1-3-17-9-7-10-12(16-13(14-2)18-10)8-5-4-6-15-11(8)9/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyCUSBAJHAMXHQQU-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.28
Rot. Bonds3

About 5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine

5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine (PubChem CID 96710399) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine.

Molecular Properties

Compound Name5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
PubChem CID96710399
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
SMILESCCOc1cc2sc(NC)nc2c2cccnc12
InChIInChI=1S/C13H13N3OS/c1-3-17-9-7-10-12(16-13(14-2)18-10)8-5-4-6-15-11(8)9/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyCUSBAJHAMXHQQU-UHFFFAOYSA-N
XLogP3.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxy-N-propyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710401
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(5-propoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)propanamide
CID 35577154
N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
CID 82549644
6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
CID 82548705
6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
CID 82548663
4,5,6-triethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 96710391
5-bromo-8-ethoxyquinoline
CID 100612531
5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine
CID 82548972
8-ethoxy-5-isoquinolin-1-ylquinoline
CID 18784017
5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82548636
6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549346
8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3684734

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine?
The IUPAC name of 5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine (CID 96710399) is 5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine.
What is the SMILES notation for 5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine?
The canonical SMILES for 5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine is CCOc1cc2sc(NC)nc2c2cccnc12.
What is the InChIKey of 5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine?
The InChIKey is CUSBAJHAMXHQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-3-17-9-7-10-12(16-13(14-2)18-10)8-5-4-6-15-11(8)9/h4-7H,3H2,1-2H3,(H,14,16).
What are the key properties of 5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine?
5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine has a molecular weight of 259.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine is sourced from PubChem (CID 96710399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).