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

C15H15N3OS — CID 99838885

IUPAC8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
SMILESCOc1cccc2c(N[C@@H](C)c3nccs3)ccnc12
InChIInChI=1S/C15H15N3OS/c1-10(15-17-8-9-20-15)18-12-6-7-16-14-11(12)4-3-5-13(14)19-2/h3-10H,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyBHWFOVYYYKEDNP-JTQLQIEISA-N
MW285.37 g/mol
LogP3.87
Rot. Bonds4

About 8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine

8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine (PubChem CID 99838885) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
PubChem CID99838885
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
SMILESCOc1cccc2c(N[C@@H](C)c3nccs3)ccnc12
InChIInChI=1S/C15H15N3OS/c1-10(15-17-8-9-20-15)18-12-6-7-16-14-11(12)4-3-5-13(14)19-2/h3-10H,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyBHWFOVYYYKEDNP-JTQLQIEISA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-N-(1-phenylethyl)quinolin-4-amine
CID 142630068
3-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115923076
2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988281
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine
CID 103001288
N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine
CID 64992997
7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 63613248
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75505095
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089
3-propan-2-yloxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 112568503

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine?
The IUPAC name of 8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine (CID 99838885) is 8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for 8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine?
The canonical SMILES for 8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine is COc1cccc2c(N[C@@H](C)c3nccs3)ccnc12.
What is the InChIKey of 8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine?
The InChIKey is BHWFOVYYYKEDNP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10(15-17-8-9-20-15)18-12-6-7-16-14-11(12)4-3-5-13(14)19-2/h3-10H,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine?
8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 99838885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).