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

C9H13FN2OS — CID 130165180

IUPAC2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)(C)F)s1
InChIInChI=1S/C9H13FN2OS/c1-6-4-11-7(14-6)5-12-8(13)9(2,3)10/h4H,5H2,1-3H3,(H,12,13)
InChIKeyHPCROAJXOHOFKN-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.82
Rot. Bonds3

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

2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 130165180) has the molecular formula C9H13FN2OS and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID130165180
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC Name2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)C(C)(C)F)s1
InChIInChI=1S/C9H13FN2OS/c1-6-4-11-7(14-6)5-12-8(13)9(2,3)10/h4H,5H2,1-3H3,(H,12,13)
InChIKeyHPCROAJXOHOFKN-UHFFFAOYSA-N
XLogP1.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.82
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-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide (CID 130165180) is 2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide is Cc1cnc(CNC(=O)C(C)(C)F)s1.
What is the InChIKey of 2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is HPCROAJXOHOFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2OS/c1-6-4-11-7(14-6)5-12-8(13)9(2,3)10/h4H,5H2,1-3H3,(H,12,13).
What are the key properties of 2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
2-fluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 216.28 g/mol, XLogP of 1.82, 3 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-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 130165180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).