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

C6H10N2O2S — CID 106380876

IUPAC4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCO)cs1
InChIInChI=1S/C6H10N2O2S/c9-2-1-7-3-5-4-11-6(10)8-5/h4,7,9H,1-3H2,(H,8,10)
InChIKeyDEVIBMOJRUNBSH-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.48
Rot. Bonds4

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

4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380876) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380876
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCO)cs1
InChIInChI=1S/C6H10N2O2S/c9-2-1-7-3-5-4-11-6(10)8-5/h4,7,9H,1-3H2,(H,8,10)
InChIKeyDEVIBMOJRUNBSH-UHFFFAOYSA-N
XLogP-0.48
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.48
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-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380793
4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381127
N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43393613
4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113155
4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380176
4-[(oxetan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380308
4-[(2-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380675
4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380680
4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380692
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-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380827

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380876) is 4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCO)cs1.
What is the InChIKey of 4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DEVIBMOJRUNBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c9-2-1-7-3-5-4-11-6(10)8-5/h4,7,9H,1-3H2,(H,8,10).
What are the key properties of 4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 174.22 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).