2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole

C11H17FN2S — CID 175997631

IUPAC2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole
SMILESFCCCN1CC[C@@H](Cc2nccs2)C1
InChIInChI=1S/C11H17FN2S/c12-3-1-5-14-6-2-10(9-14)8-11-13-4-7-15-11/h4,7,10H,1-3,5-6,8-9H2/t10-/m0/s1
InChIKeySZAGOBFISZGVFO-JTQLQIEISA-N
MW228.34 g/mol
LogP2.37
Rot. Bonds5

About 2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole

2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole (PubChem CID 175997631) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole
PubChem CID175997631
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole
SMILESFCCCN1CC[C@@H](Cc2nccs2)C1
InChIInChI=1S/C11H17FN2S/c12-3-1-5-14-6-2-10(9-14)8-11-13-4-7-15-11/h4,7,10H,1-3,5-6,8-9H2/t10-/m0/s1
InChIKeySZAGOBFISZGVFO-JTQLQIEISA-N
XLogP2.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isobutylthiazole
CID 62725
2-(1-Methylpropyl)thiazole
CID 519539
2-(Sec-Butyl)Thiazole
CID 5289510
2-Cyclopentyl-1,3-thiazole
CID 16206151
2-(3-Pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole
CID 10313490
2-[(2S)-butan-2-yl]-1,3-thiazole
CID 446177
2-[Fluoro-(1-fluorocyclohexyl)methyl]-1,3-thiazole
CID 177857006
2-Heptan-3-yl-1,3-thiazole
CID 3023053
5-(4-Fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571137
2-[3,3-Dimethyl-2-(trifluoromethyl)butyl]-1,3-thiazole
CID 57881403
2-(1-Fluoropentyl)-1,3-thiazole
CID 67086803
2-(5-Fluoropentyl)-1,3-thiazole
CID 67086806

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole (CID 175997631) is 2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole is FCCCN1CC[C@@H](Cc2nccs2)C1.
What is the InChIKey of 2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole?
The InChIKey is SZAGOBFISZGVFO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17FN2S/c12-3-1-5-14-6-2-10(9-14)8-11-13-4-7-15-11/h4,7,10H,1-3,5-6,8-9H2/t10-/m0/s1.
What are the key properties of 2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole?
2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole has a molecular weight of 228.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 175997631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).