2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide

C10H13FN2OS — CID 167919872

IUPAC2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide
SMILESC=C(F)C(=O)NC(CC)c1ncc(C)s1
InChIInChI=1S/C10H13FN2OS/c1-4-8(13-9(14)7(3)11)10-12-5-6(2)15-10/h5,8H,3-4H2,1-2H3,(H,13,14)
InChIKeyBIZJNTCAXUVXNF-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.50
Rot. Bonds4

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

2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide (PubChem CID 167919872) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide
PubChem CID167919872
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide
SMILESC=C(F)C(=O)NC(CC)c1ncc(C)s1
InChIInChI=1S/C10H13FN2OS/c1-4-8(13-9(14)7(3)11)10-12-5-6(2)15-10/h5,8H,3-4H2,1-2H3,(H,13,14)
InChIKeyBIZJNTCAXUVXNF-UHFFFAOYSA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide?
The IUPAC name of 2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide (CID 167919872) is 2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide?
The canonical SMILES for 2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide is C=C(F)C(=O)NC(CC)c1ncc(C)s1.
What is the InChIKey of 2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide?
The InChIKey is BIZJNTCAXUVXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c1-4-8(13-9(14)7(3)11)10-12-5-6(2)15-10/h5,8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide?
2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide has a molecular weight of 228.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide is sourced from PubChem (CID 167919872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).