N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide

C8H12N2O2S — CID 130668454

IUPACN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(CO)cs1
InChIInChI=1S/C8H12N2O2S/c1-2-3-7(12)10-8-9-6(4-11)5-13-8/h5,11H,2-4H2,1H3,(H,9,10,12)
InChIKeyVEQFNNYSMZVZPO-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.37
Rot. Bonds4

About N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide

N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 130668454) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID130668454
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(CO)cs1
InChIInChI=1S/C8H12N2O2S/c1-2-3-7(12)10-8-9-6(4-11)5-13-8/h5,11H,2-4H2,1H3,(H,9,10,12)
InChIKeyVEQFNNYSMZVZPO-UHFFFAOYSA-N
XLogP1.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 138577108
N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide
CID 123465394
[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87112196
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715992
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715817
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide (CID 130668454) is N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(CO)cs1.
What is the InChIKey of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is VEQFNNYSMZVZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-3-7(12)10-8-9-6(4-11)5-13-8/h5,11H,2-4H2,1H3,(H,9,10,12).
What are the key properties of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide?
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 200.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 130668454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).