N-(1,3-thiazol-5-ylmethyl)butanamide

C8H12N2OS — CID 104579086

IUPACN-(1,3-thiazol-5-ylmethyl)butanamide
SMILESCCCC(=O)NCc1cncs1
InChIInChI=1S/C8H12N2OS/c1-2-3-8(11)10-5-7-4-9-6-12-7/h4,6H,2-3,5H2,1H3,(H,10,11)
InChIKeyMZUODYMTKCIKGU-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.56
Rot. Bonds4

About N-(1,3-thiazol-5-ylmethyl)butanamide

N-(1,3-thiazol-5-ylmethyl)butanamide (PubChem CID 104579086) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)butanamide
PubChem CID104579086
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-(1,3-thiazol-5-ylmethyl)butanamide
SMILESCCCC(=O)NCc1cncs1
InChIInChI=1S/C8H12N2OS/c1-2-3-8(11)10-5-7-4-9-6-12-7/h4,6H,2-3,5H2,1H3,(H,10,11)
InChIKeyMZUODYMTKCIKGU-UHFFFAOYSA-N
XLogP1.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-thiazol-5-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)butanamide?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)butanamide (CID 104579086) is N-(1,3-thiazol-5-ylmethyl)butanamide.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)butanamide?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)butanamide is CCCC(=O)NCc1cncs1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)butanamide?
The InChIKey is MZUODYMTKCIKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-3-8(11)10-5-7-4-9-6-12-7/h4,6H,2-3,5H2,1H3,(H,10,11).
What are the key properties of N-(1,3-thiazol-5-ylmethyl)butanamide?
N-(1,3-thiazol-5-ylmethyl)butanamide has a molecular weight of 184.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)butanamide is sourced from PubChem (CID 104579086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).