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

C6H9FN2OS — CID 106380671

IUPAC4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCF)cs1
InChIInChI=1S/C6H9FN2OS/c7-1-2-8-3-5-4-11-6(10)9-5/h4,8H,1-3H2,(H,9,10)
InChIKeyVJGNUJNLKVWLLV-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.50
Rot. Bonds4

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

4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380671) has the molecular formula C6H9FN2OS and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380671
Molecular FormulaC6H9FN2OS
Molecular Weight176.22 g/mol
Exact Mass176.04
IUPAC Name4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCF)cs1
InChIInChI=1S/C6H9FN2OS/c7-1-2-8-3-5-4-11-6(10)9-5/h4,8H,1-3H2,(H,9,10)
InChIKeyVJGNUJNLKVWLLV-UHFFFAOYSA-N
XLogP0.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Amino-1,1,1-trifluoropropan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 43752836
4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113133
2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103862883
4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379838
4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380734
4-[(3,3,3-trifluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380737
4-[(4,4,4-trifluorobutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380757
4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380934
4-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381137
4-[[2-(2,2,2-trifluoroethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381860
2,2-difluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106383581
3-(2-Aminoethyl)-4-methyl-1,3-thiazol-2-one
CID 43213975

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380671) is 4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCF)cs1.
What is the InChIKey of 4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VJGNUJNLKVWLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2OS/c7-1-2-8-3-5-4-11-6(10)9-5/h4,8H,1-3H2,(H,9,10).
What are the key properties of 4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 176.22 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).