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

C8H11FN2OS — CID 130841255

IUPACN-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(C)c(F)s1
InChIInChI=1S/C8H11FN2OS/c1-3-4-6(12)11-8-10-5(2)7(9)13-8/h3-4H2,1-2H3,(H,10,11,12)
InChIKeyYCQQPWPNCQANHK-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.33
Rot. Bonds3

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

N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 130841255) has the molecular formula C8H11FN2OS and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID130841255
Molecular FormulaC8H11FN2OS
Molecular Weight202.25 g/mol
Exact Mass202.06
IUPAC NameN-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(C)c(F)s1
InChIInChI=1S/C8H11FN2OS/c1-3-4-6(12)11-8-10-5(2)7(9)13-8/h3-4H2,1-2H3,(H,10,11,12)
InChIKeyYCQQPWPNCQANHK-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide (CID 130841255) is N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide is CCCC(=O)Nc1nc(C)c(F)s1.
What is the InChIKey of N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is YCQQPWPNCQANHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2OS/c1-3-4-6(12)11-8-10-5(2)7(9)13-8/h3-4H2,1-2H3,(H,10,11,12).
What are the key properties of N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide?
N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 202.25 g/mol, XLogP of 2.33, 3 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)butanamide is sourced from PubChem (CID 130841255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).