[3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C9H11FN2OS — CID 121020725

IUPAC[3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC(CF)C2)cs1
InChIInChI=1S/C9H11FN2OS/c1-6-11-8(5-14-6)9(13)12-3-7(2-10)4-12/h5,7H,2-4H2,1H3
InChIKeyXKIYTBQGSZKMDG-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.49
Rot. Bonds2

About [3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 121020725) has the molecular formula C9H11FN2OS and a molecular weight of 214.26 g/mol. Its IUPAC name is [3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID121020725
Molecular FormulaC9H11FN2OS
Molecular Weight214.26 g/mol
Exact Mass214.06
IUPAC Name[3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC(CF)C2)cs1
InChIInChI=1S/C9H11FN2OS/c1-6-11-8(5-14-6)9(13)12-3-7(2-10)4-12/h5,7H,2-4H2,1H3
InChIKeyXKIYTBQGSZKMDG-UHFFFAOYSA-N
XLogP1.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Ethylpiperazin-1-yl)-(2-ethynyl-1,3-thiazol-4-yl)methanone
CID 168282839
N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 85879992
Azocan-1-yl-(2-methyl-1,3-thiazol-4-yl)methanone
CID 71936788
2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 84583503
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 86814871
N-tert-butyl-N-(2-cyanoethyl)-1,3-thiazole-4-carboxamide
CID 100677218
2-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 121577427
1-(2-Tert-butyl-1,3-thiazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid
CID 126833545
[(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 164629512
[(6S)-4-cyclopropyl-6-methyl-1,4-diazepan-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 164639289
N-tert-butyl-2-fluoro-1,3-thiazole-4-carboxamide
CID 57708321
N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide
CID 67765171

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 121020725) is [3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CC(CF)C2)cs1.
What is the InChIKey of [3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is XKIYTBQGSZKMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c1-6-11-8(5-14-6)9(13)12-3-7(2-10)4-12/h5,7H,2-4H2,1H3.
What are the key properties of [3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 214.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 121020725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).