5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane

C18H19FN2S — CID 176565681

IUPAC5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane
SMILESCC.Cc1nc2c(-c3ccc(F)cc3)cc(C3CC3)nc2s1
InChIInChI=1S/C16H13FN2S.C2H6/c1-9-18-15-13(10-4-6-12(17)7-5-10)8-14(11-2-3-11)19-16(15)20-9;1-2/h4-8,11H,2-3H2,1H3;1-2H3
InChIKeyVCEHMCSKQWAKPB-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.71
Rot. Bonds2

About 5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane

5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane (PubChem CID 176565681) has the molecular formula C18H19FN2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane.

Molecular Properties

Compound Name5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane
PubChem CID176565681
Molecular FormulaC18H19FN2S
Molecular Weight314.43 g/mol
Exact Mass314.13
IUPAC Name5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane
SMILESCC.Cc1nc2c(-c3ccc(F)cc3)cc(C3CC3)nc2s1
InChIInChI=1S/C16H13FN2S.C2H6/c1-9-18-15-13(10-4-6-12(17)7-5-10)8-14(11-2-3-11)19-16(15)20-9;1-2/h4-8,11H,2-3H2,1H3;1-2H3
InChIKeyVCEHMCSKQWAKPB-UHFFFAOYSA-N
XLogP5.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-6-methylpyridine
CID 123665063
6-cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 21471334
[6-cyclopropyl-4-(4-fluorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]methanol
CID 176565798
4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874092
5-cyclopropyl-3-(4-fluorophenyl)-4-methyl-1H-pyrazole;ethane
CID 145448857
2-cyclopentyl-5-(4-fluorophenyl)pyridine
CID 68657730
4-fluoro-2-methyl-6-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-1,3-benzothiazole;hydrochloride
CID 162433200
4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867055
4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine
CID 110090018
5-cyclohexyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 82106632
2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine
CID 172580927
4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine
CID 172608829

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane?
The IUPAC name of 5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane (CID 176565681) is 5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane.
What is the SMILES notation for 5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane?
The canonical SMILES for 5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane is CC.Cc1nc2c(-c3ccc(F)cc3)cc(C3CC3)nc2s1.
What is the InChIKey of 5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane?
The InChIKey is VCEHMCSKQWAKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S.C2H6/c1-9-18-15-13(10-4-6-12(17)7-5-10)8-14(11-2-3-11)19-16(15)20-9;1-2/h4-8,11H,2-3H2,1H3;1-2H3.
What are the key properties of 5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane?
5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane has a molecular weight of 314.43 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridine;ethane is sourced from PubChem (CID 176565681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).