2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde

C11H15FN2OS — CID 170950858

IUPAC2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(CC2CN(CCCF)C2)s1
InChIInChI=1S/C11H15FN2OS/c12-2-1-3-14-6-9(7-14)4-11-13-5-10(8-15)16-11/h5,8-9H,1-4,6-7H2
InChIKeyLVNUTZLVIYEXCY-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.79
Rot. Bonds6

About 2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde

2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde (PubChem CID 170950858) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde
PubChem CID170950858
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(CC2CN(CCCF)C2)s1
InChIInChI=1S/C11H15FN2OS/c12-2-1-3-14-6-9(7-14)4-11-13-5-10(8-15)16-11/h5,8-9H,1-4,6-7H2
InChIKeyLVNUTZLVIYEXCY-UHFFFAOYSA-N
XLogP1.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1,3-thiazole-5-carbaldehyde
CID 13934728
2-(Propan-2-yl)-1,3-thiazole-5-carbaldehyde
CID 45083848
2-Ethyl-1,3-thiazole-5-carbaldehyde
CID 45121743
2-Tert-butyl-1,3-thiazole-5-carbaldehyde
CID 45792401
2-(5-Formyl-1,3-thiazol-2-yl)-2-methylpropanenitrile
CID 57441007
2-Cyclohexyl-1,3-thiazole-5-carbaldehyde
CID 61282684
2-(2-Methylpropyl)-1,3-thiazole-5-carbaldehyde
CID 61282885
2-Cyclobutyl-1,3-thiazole-5-carbaldehyde
CID 64984031
2-(1,1-Difluoroethyl)-1,3-thiazole-5-carbaldehyde
CID 84767280
2-(1-Fluorocyclobutyl)-1,3-thiazole-5-carbaldehyde
CID 177798520
2-(3,3,3-Trifluoropropyl)-1,3-thiazole-5-carbaldehyde
CID 58378362
2-(4,4,4-Trifluoro-2-oxobutyl)-1,3-thiazole-5-carbaldehyde
CID 58378435

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde (CID 170950858) is 2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(CC2CN(CCCF)C2)s1.
What is the InChIKey of 2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is LVNUTZLVIYEXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c12-2-1-3-14-6-9(7-14)4-11-13-5-10(8-15)16-11/h5,8-9H,1-4,6-7H2.
What are the key properties of 2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde?
2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 242.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 170950858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).