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

C10H15FN2OS — CID 154847902

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide
SMILESCCc1ncc(CNC(=O)C(C)(C)F)s1
InChIInChI=1S/C10H15FN2OS/c1-4-8-12-5-7(15-8)6-13-9(14)10(2,3)11/h5H,4,6H2,1-3H3,(H,13,14)
InChIKeyJBVYVCYBLDCKOG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.07
Rot. Bonds4

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide (PubChem CID 154847902) has the molecular formula C10H15FN2OS and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide
PubChem CID154847902
Molecular FormulaC10H15FN2OS
Molecular Weight230.31 g/mol
Exact Mass230.09
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide
SMILESCCc1ncc(CNC(=O)C(C)(C)F)s1
InChIInChI=1S/C10H15FN2OS/c1-4-8-12-5-7(15-8)6-13-9(14)10(2,3)11/h5H,4,6H2,1-3H3,(H,13,14)
InChIKeyJBVYVCYBLDCKOG-UHFFFAOYSA-N
XLogP2.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide (CID 154847902) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide is CCc1ncc(CNC(=O)C(C)(C)F)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide?
The InChIKey is JBVYVCYBLDCKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2OS/c1-4-8-12-5-7(15-8)6-13-9(14)10(2,3)11/h5H,4,6H2,1-3H3,(H,13,14).
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 154847902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).