5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide

C13H12BrF2N3OS — CID 154645867

IUPAC5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1nsc2ncc(Br)cc12
InChIInChI=1S/C13H12BrF2N3OS/c14-7-5-9-10(19-21-12(9)17-6-7)11(20)18-8-1-3-13(15,16)4-2-8/h5-6,8H,1-4H2,(H,18,20)
InChIKeyFMOXWKXMITTWNU-UHFFFAOYSA-N
MW376.23 g/mol
LogP3.76
Rot. Bonds2

About 5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide

5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 154645867) has the molecular formula C13H12BrF2N3OS and a molecular weight of 376.23 g/mol. Its IUPAC name is 5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
PubChem CID154645867
Molecular FormulaC13H12BrF2N3OS
Molecular Weight376.23 g/mol
Exact Mass374.99
IUPAC Name5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1nsc2ncc(Br)cc12
InChIInChI=1S/C13H12BrF2N3OS/c14-7-5-9-10(19-21-12(9)17-6-7)11(20)18-8-1-3-13(15,16)4-2-8/h5-6,8H,1-4H2,(H,18,20)
InChIKeyFMOXWKXMITTWNU-UHFFFAOYSA-N
XLogP3.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide (CID 154645867) is 5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide is O=C(NC1CCC(F)(F)CC1)c1nsc2ncc(Br)cc12.
What is the InChIKey of 5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is FMOXWKXMITTWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3OS/c14-7-5-9-10(19-21-12(9)17-6-7)11(20)18-8-1-3-13(15,16)4-2-8/h5-6,8H,1-4H2,(H,18,20).
What are the key properties of 5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 376.23 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,4-difluorocyclohexyl)-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 154645867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).