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

C7H12N2O2S — CID 106380680

IUPAC4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCO)cs1
InChIInChI=1S/C7H12N2O2S/c10-3-1-2-8-4-6-5-12-7(11)9-6/h5,8,10H,1-4H2,(H,9,11)
InChIKeyKPBVUPJJVAIHKF-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.09
Rot. Bonds5

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

4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380680) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380680
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCO)cs1
InChIInChI=1S/C7H12N2O2S/c10-3-1-2-8-4-6-5-12-7(11)9-6/h5,8,10H,1-4H2,(H,9,11)
InChIKeyKPBVUPJJVAIHKF-UHFFFAOYSA-N
XLogP-0.09
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.09
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

N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43417694
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-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380675
4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380712
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-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380743
4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380827
4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380863
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380874
4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380876

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380680) is 4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCCO)cs1.
What is the InChIKey of 4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KPBVUPJJVAIHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c10-3-1-2-8-4-6-5-12-7(11)9-6/h5,8,10H,1-4H2,(H,9,11).
What are the key properties of 4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 188.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).