N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide

C8H7FN2OS — CID 130679471

IUPACN-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1nc(C)c(F)s1
InChIInChI=1S/C8H7FN2OS/c1-3-4-6(12)11-8-10-5(2)7(9)13-8/h1-2H3,(H,10,11,12)
InChIKeyBEVJHJZFORSGGK-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.55
Rot. Bonds1

About N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide

N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide (PubChem CID 130679471) has the molecular formula C8H7FN2OS and a molecular weight of 198.22 g/mol. Its IUPAC name is N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide.

Molecular Properties

Compound NameN-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide
PubChem CID130679471
Molecular FormulaC8H7FN2OS
Molecular Weight198.22 g/mol
Exact Mass198.03
IUPAC NameN-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1nc(C)c(F)s1
InChIInChI=1S/C8H7FN2OS/c1-3-4-6(12)11-8-10-5(2)7(9)13-8/h1-2H3,(H,10,11,12)
InChIKeyBEVJHJZFORSGGK-UHFFFAOYSA-N
XLogP1.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide?
The IUPAC name of N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide (CID 130679471) is N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide.
What is the SMILES notation for N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide?
The canonical SMILES for N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide is CC#CC(=O)Nc1nc(C)c(F)s1.
What is the InChIKey of N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide?
The InChIKey is BEVJHJZFORSGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2OS/c1-3-4-6(12)11-8-10-5(2)7(9)13-8/h1-2H3,(H,10,11,12).
What are the key properties of N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide?
N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide has a molecular weight of 198.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide is sourced from PubChem (CID 130679471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).