(5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one

C15H13F2N5O3S — CID 122191639

IUPAC(5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C(F)F)c2)cc2ncsc12)[C@H]1CNC(=O)O1
InChIInChI=1S/C15H13F2N5O3S/c1-7(11-4-18-15(23)25-11)24-13-12-10(19-6-26-12)2-9(21-13)8-3-20-22(5-8)14(16)17/h2-3,5-7,11,14H,4H2,1H3,(H,18,23)/t7-,11-/m1/s1
InChIKeyBOAKEOMCZWRBDF-RDDDGLTNSA-N
MW381.36 g/mol
LogP2.83
Rot. Bonds5

About (5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one

(5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 122191639) has the molecular formula C15H13F2N5O3S and a molecular weight of 381.36 g/mol. Its IUPAC name is (5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one
PubChem CID122191639
Molecular FormulaC15H13F2N5O3S
Molecular Weight381.36 g/mol
Exact Mass381.07
IUPAC Name(5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C(F)F)c2)cc2ncsc12)[C@H]1CNC(=O)O1
InChIInChI=1S/C15H13F2N5O3S/c1-7(11-4-18-15(23)25-11)24-13-12-10(19-6-26-12)2-9(21-13)8-3-20-22(5-8)14(16)17/h2-3,5-7,11,14H,4H2,1H3,(H,18,23)/t7-,11-/m1/s1
InChIKeyBOAKEOMCZWRBDF-RDDDGLTNSA-N
XLogP2.83
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one (CID 122191639) is (5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one is C[C@@H](Oc1nc(-c2cnn(C(F)F)c2)cc2ncsc12)[C@H]1CNC(=O)O1.
What is the InChIKey of (5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is BOAKEOMCZWRBDF-RDDDGLTNSA-N. The full InChI is InChI=1S/C15H13F2N5O3S/c1-7(11-4-18-15(23)25-11)24-13-12-10(19-6-26-12)2-9(21-13)8-3-20-22(5-8)14(16)17/h2-3,5-7,11,14H,4H2,1H3,(H,18,23)/t7-,11-/m1/s1.
What are the key properties of (5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one?
(5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 381.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122191639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).