4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one

C9H16N2O2S — CID 106380782

IUPAC4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCCCO)cs1
InChIInChI=1S/C9H16N2O2S/c12-5-3-1-2-4-10-6-8-7-14-9(13)11-8/h7,10,12H,1-6H2,(H,11,13)
InChIKeyUXZFJWLOYLVIDO-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.69
Rot. Bonds7

About 4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one

4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380782) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380782
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCCCO)cs1
InChIInChI=1S/C9H16N2O2S/c12-5-3-1-2-4-10-6-8-7-14-9(13)11-8/h7,10,12H,1-6H2,(H,11,13)
InChIKeyUXZFJWLOYLVIDO-UHFFFAOYSA-N
XLogP0.69
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380655
4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380813
4-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380916
4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380955
4-[[(2-hydroxycyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381052
4-[[(2-amino-5-methoxypentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381729
5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
CID 106383571
N-(5-hydroxypentyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 107319094

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380782) is 4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCCCCO)cs1.
What is the InChIKey of 4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is UXZFJWLOYLVIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c12-5-3-1-2-4-10-6-8-7-14-9(13)11-8/h7,10,12H,1-6H2,(H,11,13).
What are the key properties of 4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 216.31 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).