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

C7H11FN2OS — CID 106380734

IUPAC4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCF)cs1
InChIInChI=1S/C7H11FN2OS/c8-2-1-3-9-4-6-5-12-7(11)10-6/h5,9H,1-4H2,(H,10,11)
InChIKeyDEFKTWWOYYNZNM-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.89
Rot. Bonds5

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

4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380734) has the molecular formula C7H11FN2OS and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380734
Molecular FormulaC7H11FN2OS
Molecular Weight190.24 g/mol
Exact Mass190.06
IUPAC Name4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCF)cs1
InChIInChI=1S/C7H11FN2OS/c8-2-1-3-9-4-6-5-12-7(11)10-6/h5,9H,1-4H2,(H,10,11)
InChIKeyDEFKTWWOYYNZNM-UHFFFAOYSA-N
XLogP0.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.89
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

4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113133
4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379838
4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380671
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
3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanenitrile
CID 106380988
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
4-(Aminomethyl)-2,3-dihydro-1,3-thiazol-2-one
CID 67093933
4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one
CID 119091330
4-Methyl-3-[2-(propylamino)ethyl]-1,3-thiazol-2-one
CID 60671974

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380734) is 4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCCF)cs1.
What is the InChIKey of 4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DEFKTWWOYYNZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2OS/c8-2-1-3-9-4-6-5-12-7(11)10-6/h5,9H,1-4H2,(H,10,11).
What are the key properties of 4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 190.24 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).