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

C8H12N2OS — CID 17190930

IUPACN-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C8H12N2OS/c1-3-4-7(11)10-8-9-5-6(2)12-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyKJFBQGNPSVVDIT-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.19
Rot. Bonds3

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

N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 17190930) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID17190930
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C8H12N2OS/c1-3-4-7(11)10-8-9-5-6(2)12-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyKJFBQGNPSVVDIT-UHFFFAOYSA-N
XLogP2.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 17190930) is N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)butanamide is CCCC(=O)Nc1ncc(C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is KJFBQGNPSVVDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-4-7(11)10-8-9-5-6(2)12-8/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)butanamide?
N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 184.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 17190930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).