4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C9H13FN2S — CID 126787336

IUPAC4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESFCC1CCCN1Cc1cscn1
InChIInChI=1S/C9H13FN2S/c10-4-9-2-1-3-12(9)5-8-6-13-7-11-8/h6-7,9H,1-5H2
InChIKeyOYHZNLDQJHZPQO-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.08
Rot. Bonds3

About 4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 126787336) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID126787336
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESFCC1CCCN1Cc1cscn1
InChIInChI=1S/C9H13FN2S/c10-4-9-2-1-3-12(9)5-8-6-13-7-11-8/h6-7,9H,1-5H2
InChIKeyOYHZNLDQJHZPQO-UHFFFAOYSA-N
XLogP2.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129487841
3,5-dimethyl-4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 99931192
2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553267
N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 124948743
N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124954569
4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99958850
4-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 77097504
[(2S,4S)-4-fluoro-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 130608585
5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole
CID 99943755
(4aS,8aS)-2-(1,3-thiazol-4-ylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 77094068
4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125005088

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 126787336) is 4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is FCC1CCCN1Cc1cscn1.
What is the InChIKey of 4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OYHZNLDQJHZPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c10-4-9-2-1-3-12(9)5-8-6-13-7-11-8/h6-7,9H,1-5H2.
What are the key properties of 4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 126787336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).