1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one

C11H10F2N2OS — CID 70170192

IUPAC1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCc1ccc2c(n1)sc(=O)n2CC1CC1(F)F
InChIInChI=1S/C11H10F2N2OS/c1-6-2-3-8-9(14-6)17-10(16)15(8)5-7-4-11(7,12)13/h2-3,7H,4-5H2,1H3
InChIKeyQRRBKGIOENGXJY-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.42
Rot. Bonds2

About 1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one

1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 70170192) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID70170192
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCc1ccc2c(n1)sc(=O)n2CC1CC1(F)F
InChIInChI=1S/C11H10F2N2OS/c1-6-2-3-8-9(14-6)17-10(16)15(8)5-7-4-11(7,12)13/h2-3,7H,4-5H2,1H3
InChIKeyQRRBKGIOENGXJY-UHFFFAOYSA-N
XLogP2.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 70170192) is 1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one is Cc1ccc2c(n1)sc(=O)n2CC1CC1(F)F.
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is QRRBKGIOENGXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c1-6-2-3-8-9(14-6)17-10(16)15(8)5-7-4-11(7,12)13/h2-3,7H,4-5H2,1H3.
What are the key properties of 1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 256.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 70170192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).