2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide

C8H11FN2OS — CID 130734894

IUPAC2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncc(NC(=O)C(C)(C)F)s1
InChIInChI=1S/C8H11FN2OS/c1-5-10-4-6(13-5)11-7(12)8(2,3)9/h4H,1-3H3,(H,11,12)
InChIKeyXJBVWMLORAEYBP-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.14
Rot. Bonds2

About 2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide

2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 130734894) has the molecular formula C8H11FN2OS and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID130734894
Molecular FormulaC8H11FN2OS
Molecular Weight202.25 g/mol
Exact Mass202.06
IUPAC Name2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncc(NC(=O)C(C)(C)F)s1
InChIInChI=1S/C8H11FN2OS/c1-5-10-4-6(13-5)11-7(12)8(2,3)9/h4H,1-3H3,(H,11,12)
InChIKeyXJBVWMLORAEYBP-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide (CID 130734894) is 2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncc(NC(=O)C(C)(C)F)s1.
What is the InChIKey of 2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is XJBVWMLORAEYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2OS/c1-5-10-4-6(13-5)11-7(12)8(2,3)9/h4H,1-3H3,(H,11,12).
What are the key properties of 2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide?
2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 202.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 130734894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).