2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole

C9H13FN2S — CID 130727488

IUPAC2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESCC1(F)CCN(Cc2nccs2)C1
InChIInChI=1S/C9H13FN2S/c1-9(10)2-4-12(7-9)6-8-11-3-5-13-8/h3,5H,2,4,6-7H2,1H3
InChIKeyHQIYHDZEGPRZIV-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.08
Rot. Bonds2

About 2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole

2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole (PubChem CID 130727488) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole
PubChem CID130727488
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESCC1(F)CCN(Cc2nccs2)C1
InChIInChI=1S/C9H13FN2S/c1-9(10)2-4-12(7-9)6-8-11-3-5-13-8/h3,5H,2,4,6-7H2,1H3
InChIKeyHQIYHDZEGPRZIV-UHFFFAOYSA-N
XLogP2.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole (CID 130727488) is 2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole is CC1(F)CCN(Cc2nccs2)C1.
What is the InChIKey of 2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is HQIYHDZEGPRZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c1-9(10)2-4-12(7-9)6-8-11-3-5-13-8/h3,5H,2,4,6-7H2,1H3.
What are the key properties of 2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole?
2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 130727488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).