5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole

C19H17FN2S — CID 141121647

IUPAC5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole
SMILESCc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CCCC4)s2)c1
InChIInChI=1S/C19H17FN2S/c1-12-8-14(10-15(20)9-12)18-11-21-19(23-18)17-7-6-13-4-2-3-5-16(13)22-17/h6-11H,2-5H2,1H3
InChIKeyAEIYKCAFQJWXQJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.20
Rot. Bonds2

About 5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole

5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole (PubChem CID 141121647) has the molecular formula C19H17FN2S and a molecular weight of 324.42 g/mol. Its IUPAC name is 5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole
PubChem CID141121647
Molecular FormulaC19H17FN2S
Molecular Weight324.42 g/mol
Exact Mass324.11
IUPAC Name5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole
SMILESCc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CCCC4)s2)c1
InChIInChI=1S/C19H17FN2S/c1-12-8-14(10-15(20)9-12)18-11-21-19(23-18)17-7-6-13-4-2-3-5-16(13)22-17/h6-11H,2-5H2,1H3
InChIKeyAEIYKCAFQJWXQJ-UHFFFAOYSA-N
XLogP5.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1889993
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CID 16662948
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
(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
4-(3,4-Difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
2-(2-Propylpyridin-4-yl)-4-p-tolylthiazole hydrobromide
CID 2850562
4-(2-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2347880
4-(3,4-Difluorophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 2446134

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?
The IUPAC name of 5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole (CID 141121647) is 5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole is Cc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CCCC4)s2)c1.
What is the InChIKey of 5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?
The InChIKey is AEIYKCAFQJWXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2S/c1-12-8-14(10-15(20)9-12)18-11-21-19(23-18)17-7-6-13-4-2-3-5-16(13)22-17/h6-11H,2-5H2,1H3.
What are the key properties of 5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole?
5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole has a molecular weight of 324.42 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole is sourced from PubChem (CID 141121647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).