2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole

C16H13ClFN3OS — CID 177172657

IUPAC2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole
SMILESCOc1cc2nc(-c3cnc(N4CCC4)s3)cc(Cl)c2cc1F
InChIInChI=1S/C16H13ClFN3OS/c1-22-14-7-12-9(5-11(14)18)10(17)6-13(20-12)15-8-19-16(23-15)21-3-2-4-21/h5-8H,2-4H2,1H3
InChIKeyARUYRSYTBVURRD-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.37
Rot. Bonds3

About 2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole

2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole (PubChem CID 177172657) has the molecular formula C16H13ClFN3OS and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole
PubChem CID177172657
Molecular FormulaC16H13ClFN3OS
Molecular Weight349.82 g/mol
Exact Mass349.05
IUPAC Name2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole
SMILESCOc1cc2nc(-c3cnc(N4CCC4)s3)cc(Cl)c2cc1F
InChIInChI=1S/C16H13ClFN3OS/c1-22-14-7-12-9(5-11(14)18)10(17)6-13(20-12)15-8-19-16(23-15)21-3-2-4-21/h5-8H,2-4H2,1H3
InChIKeyARUYRSYTBVURRD-UHFFFAOYSA-N
XLogP4.37
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole with MolForge

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Related Compounds

[1-[2-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-6-fluoro-7-methoxyquinolin-4-yl]pyrrolidin-3-yl]methanol
CID 177174075
2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline
CID 177172502
4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline
CID 177174040
5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)pyridin-2-amine
CID 177173158
4-[5-[4-chloro-6-(4-methoxyphenyl)-2-pyridinyl]-1,3-thiazol-2-yl]morpholine
CID 171470169
[1-[2-[6-(azetidin-1-yl)-3-pyridinyl]-6-fluoro-7-methoxyquinolin-4-yl]pyrrolidin-3-yl]methanol
CID 177174104
4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline
CID 167284418
7-fluoro-6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 154946942
4-chloro-2-ethyl-6,7-dimethoxyquinoline
CID 43668679
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
7-[2-[6-(azetidin-1-yl)-3-pyridinyl]-6-fluoro-7-methoxyquinolin-4-yl]-3-methyl-2λ6-thia-3,7-diazaspiro[4.4]nonane 2,2-dioxide
CID 177173104
2-bromo-4-chloro-6,7-dimethoxyquinoline
CID 139329626

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole?
The IUPAC name of 2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole (CID 177172657) is 2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole is COc1cc2nc(-c3cnc(N4CCC4)s3)cc(Cl)c2cc1F.
What is the InChIKey of 2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole?
The InChIKey is ARUYRSYTBVURRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3OS/c1-22-14-7-12-9(5-11(14)18)10(17)6-13(20-12)15-8-19-16(23-15)21-3-2-4-21/h5-8H,2-4H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole?
2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole has a molecular weight of 349.82 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)-1,3-thiazole is sourced from PubChem (CID 177172657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).