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

C9H13FN2S — CID 126992763

IUPAC5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole
SMILESCc1cc(C(F)C2CCCN2)sn1
InChIInChI=1S/C9H13FN2S/c1-6-5-8(13-12-6)9(10)7-3-2-4-11-7/h5,7,9,11H,2-4H2,1H3
InChIKeyBUKOBZFDIOFKGO-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.21
Rot. Bonds2

About 5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole

5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole (PubChem CID 126992763) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole
PubChem CID126992763
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole
SMILESCc1cc(C(F)C2CCCN2)sn1
InChIInChI=1S/C9H13FN2S/c1-6-5-8(13-12-6)9(10)7-3-2-4-11-7/h5,7,9,11H,2-4H2,1H3
InChIKeyBUKOBZFDIOFKGO-UHFFFAOYSA-N
XLogP2.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole?
The IUPAC name of 5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole (CID 126992763) is 5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole?
The canonical SMILES for 5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole is Cc1cc(C(F)C2CCCN2)sn1.
What is the InChIKey of 5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole?
The InChIKey is BUKOBZFDIOFKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c1-6-5-8(13-12-6)9(10)7-3-2-4-11-7/h5,7,9,11H,2-4H2,1H3.
What are the key properties of 5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole?
5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole is sourced from PubChem (CID 126992763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).