5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole

C8H10F2N2S — CID 171326497

IUPAC5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)C1CN(Cc2cncs2)C1
InChIInChI=1S/C8H10F2N2S/c9-8(10)6-2-12(3-6)4-7-1-11-5-13-7/h1,5-6,8H,2-4H2
InChIKeyKATHFXNUEPMKJA-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.84
Rot. Bonds3

About 5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole

5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole (PubChem CID 171326497) has the molecular formula C8H10F2N2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole
PubChem CID171326497
Molecular FormulaC8H10F2N2S
Molecular Weight204.25 g/mol
Exact Mass204.05
IUPAC Name5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)C1CN(Cc2cncs2)C1
InChIInChI=1S/C8H10F2N2S/c9-8(10)6-2-12(3-6)4-7-1-11-5-13-7/h1,5-6,8H,2-4H2
InChIKeyKATHFXNUEPMKJA-UHFFFAOYSA-N
XLogP1.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholin-2-yl]methanol
CID 102935669
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 172891886
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
(2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine
CID 100654312
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736
6-chloro-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepane
CID 130943461
5-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 112644963
(3R,4R)-4-phenoxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 110145190
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole (CID 171326497) is 5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole is FC(F)C1CN(Cc2cncs2)C1.
What is the InChIKey of 5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KATHFXNUEPMKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2S/c9-8(10)6-2-12(3-6)4-7-1-11-5-13-7/h1,5-6,8H,2-4H2.
What are the key properties of 5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole?
5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 204.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 171326497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).