N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine

C19H16FN3S — CID 33194450

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine
SMILESCN(Cc1nc2ccccc2s1)Cc1cc(F)cc2cccnc12
InChIInChI=1S/C19H16FN3S/c1-23(12-18-22-16-6-2-3-7-17(16)24-18)11-14-10-15(20)9-13-5-4-8-21-19(13)14/h2-10H,11-12H2,1H3
InChIKeyPJGHGHWWYPEIGH-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.62
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine (PubChem CID 33194450) has the molecular formula C19H16FN3S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine
PubChem CID33194450
Molecular FormulaC19H16FN3S
Molecular Weight337.42 g/mol
Exact Mass337.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine
SMILESCN(Cc1nc2ccccc2s1)Cc1cc(F)cc2cccnc12
InChIInChI=1S/C19H16FN3S/c1-23(12-18-22-16-6-2-3-7-17(16)24-18)11-14-10-15(20)9-13-5-4-8-21-19(13)14/h2-10H,11-12H2,1H3
InChIKeyPJGHGHWWYPEIGH-UHFFFAOYSA-N
XLogP4.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2Z)-2-[(1-ethyl-8-methylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide
CID 16192857
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
(R)-2-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiazole
CID 10087576
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyridin-2-yl)thiazole
CID 11546121
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyridin-3-yl)thiazole
CID 11633028
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyrazin-2-yl)thiazole
CID 11668827
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyridin-4-yl)thiazole
CID 11690171
4-(Benzo[d]thiazol-2-yl)-1-benzylpyridin-1-ium bromide
CID 44660009
2-(3-Pyridyl)benzothiazole
CID 235922
Dercitin
CID 130774

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine (CID 33194450) is N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine is CN(Cc1nc2ccccc2s1)Cc1cc(F)cc2cccnc12.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine?
The InChIKey is PJGHGHWWYPEIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3S/c1-23(12-18-22-16-6-2-3-7-17(16)24-18)11-14-10-15(20)9-13-5-4-8-21-19(13)14/h2-10H,11-12H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine has a molecular weight of 337.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(6-fluoroquinolin-8-yl)-N-methylmethanamine is sourced from PubChem (CID 33194450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).