3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

C9H10F3N3OS — CID 43593255

IUPAC3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)3-7(16)15-8-14-5-1-2-13-4-6(5)17-8/h13H,1-4H2,(H,14,15,16)
InChIKeyMYWCEJDOOMMXON-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.68
Rot. Bonds2

About 3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (PubChem CID 43593255) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
PubChem CID43593255
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)3-7(16)15-8-14-5-1-2-13-4-6(5)17-8/h13H,1-4H2,(H,14,15,16)
InChIKeyMYWCEJDOOMMXON-UHFFFAOYSA-N
XLogP1.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (CID 43593255) is 3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is O=C(CC(F)(F)F)Nc1nc2c(s1)CNCC2.
What is the InChIKey of 3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The InChIKey is MYWCEJDOOMMXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)3-7(16)15-8-14-5-1-2-13-4-6(5)17-8/h13H,1-4H2,(H,14,15,16).
What are the key properties of 3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide has a molecular weight of 265.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is sourced from PubChem (CID 43593255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).