7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline

C13H11FN2S — CID 22927268

IUPAC7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline
SMILESCC(CF)c1ccc2c(c1)ncc1ncsc12
InChIInChI=1S/C13H11FN2S/c1-8(5-14)9-2-3-10-11(4-9)15-6-12-13(10)17-7-16-12/h2-4,6-8H,5H2,1H3
InChIKeyMBEJSJQSIOZPSD-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.92
Rot. Bonds2

About 7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline

7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline (PubChem CID 22927268) has the molecular formula C13H11FN2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline.

Molecular Properties

Compound Name7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline
PubChem CID22927268
Molecular FormulaC13H11FN2S
Molecular Weight246.31 g/mol
Exact Mass246.06
IUPAC Name7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline
SMILESCC(CF)c1ccc2c(c1)ncc1ncsc12
InChIInChI=1S/C13H11FN2S/c1-8(5-14)9-2-3-10-11(4-9)15-6-12-13(10)17-7-16-12/h2-4,6-8H,5H2,1H3
InChIKeyMBEJSJQSIOZPSD-UHFFFAOYSA-N
XLogP3.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-Methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline
CID 126483472
2-(1,3-Thiazol-2-yl)quinoline
CID 1473004
N-(2-methyl-5-(thiazolo[5,4-b]pyridin-2-yl)phenyl)ethanesulfonamide
CID 5310341
N-(2-methyl-3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)methanesulfonamide
CID 16194553
2-Methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole
CID 16663207
Thiazolo(4,5-c)quinoline, 2-methyl-, monohydrochloride
CID 3066128
Thiazolo(4,5-c)quinoline, 2-methyl-, monoethanesulfonate
CID 3066130
Thiazolo(4,5-c)quinoline, monohydrochloride
CID 3066777
Thiazolo(4,5-c)quinoline, monoethanesulfonate
CID 3066779
N-(2-methyl-5-(thiazolo[5,4-b]pyridin-2-yl)phenyl)methanesulfonamide
CID 16187059
6-(3,5-Difluorophenyl)thieno[2,3-b]pyrazine
CID 118712790
6-[(2-Methyl-4-thiazolyl)ethynyl]quinoxaline
CID 11594013

Frequently Asked Questions

What is the IUPAC name of 7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline?
The IUPAC name of 7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline (CID 22927268) is 7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline.
What is the SMILES notation for 7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline?
The canonical SMILES for 7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline is CC(CF)c1ccc2c(c1)ncc1ncsc12.
What is the InChIKey of 7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline?
The InChIKey is MBEJSJQSIOZPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S/c1-8(5-14)9-2-3-10-11(4-9)15-6-12-13(10)17-7-16-12/h2-4,6-8H,5H2,1H3.
What are the key properties of 7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline?
7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline has a molecular weight of 246.31 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-fluoropropan-2-yl)-[1,3]thiazolo[4,5-c]quinoline is sourced from PubChem (CID 22927268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).