4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one

C8H14N2O2S — CID 106380955

IUPAC4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCCO)cs1
InChIInChI=1S/C8H14N2O2S/c11-4-2-1-3-9-5-7-6-13-8(12)10-7/h6,9,11H,1-5H2,(H,10,12)
InChIKeyGMQBRLYZEZFHNL-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.30
Rot. Bonds6

About 4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one

4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380955) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380955
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCCO)cs1
InChIInChI=1S/C8H14N2O2S/c11-4-2-1-3-9-5-7-6-13-8(12)10-7/h6,9,11H,1-5H2,(H,10,12)
InChIKeyGMQBRLYZEZFHNL-UHFFFAOYSA-N
XLogP0.30
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one 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

4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106379858
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379990
4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380436
4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380655
4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380680
4-[(3-hydroxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380729
4-[(3-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380741
4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380782
4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380827
4-[(4-methoxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380853
4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380863
4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380876

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380955) is 4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCCCO)cs1.
What is the InChIKey of 4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GMQBRLYZEZFHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c11-4-2-1-3-9-5-7-6-13-8(12)10-7/h6,9,11H,1-5H2,(H,10,12).
What are the key properties of 4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 202.28 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).