3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide

C12H10F3N3OS — CID 53482976

IUPAC3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)CC(F)(F)F
InChIInChI=1S/C12H10F3N3OS/c1-7-10(18-9(19)5-12(13,14)15)20-11(17-7)8-3-2-4-16-6-8/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyRJUJEAHGNDEHEC-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.40
Rot. Bonds3

About 3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide

3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide (PubChem CID 53482976) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide
PubChem CID53482976
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)CC(F)(F)F
InChIInChI=1S/C12H10F3N3OS/c1-7-10(18-9(19)5-12(13,14)15)20-11(17-7)8-3-2-4-16-6-8/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyRJUJEAHGNDEHEC-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide (CID 53482976) is 3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide is Cc1nc(-c2cccnc2)sc1NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide?
The InChIKey is RJUJEAHGNDEHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-7-10(18-9(19)5-12(13,14)15)20-11(17-7)8-3-2-4-16-6-8/h2-4,6H,5H2,1H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide?
3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide has a molecular weight of 301.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 53482976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).