5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole

C8H11FN2S — CID 84770124

IUPAC5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole
SMILESFCc1cnc(C2CCNC2)s1
InChIInChI=1S/C8H11FN2S/c9-3-7-5-11-8(12-7)6-1-2-10-4-6/h5-6,10H,1-4H2
InChIKeyZEVODRPNNCXHFO-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.69
Rot. Bonds2

About 5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole

5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 84770124) has the molecular formula C8H11FN2S and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole
PubChem CID84770124
Molecular FormulaC8H11FN2S
Molecular Weight186.25 g/mol
Exact Mass186.06
IUPAC Name5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole
SMILESFCc1cnc(C2CCNC2)s1
InChIInChI=1S/C8H11FN2S/c9-3-7-5-11-8(12-7)6-1-2-10-4-6/h5-6,10H,1-4H2
InChIKeyZEVODRPNNCXHFO-UHFFFAOYSA-N
XLogP1.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole (CID 84770124) is 5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole is FCc1cnc(C2CCNC2)s1.
What is the InChIKey of 5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is ZEVODRPNNCXHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2S/c9-3-7-5-11-8(12-7)6-1-2-10-4-6/h5-6,10H,1-4H2.
What are the key properties of 5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole?
5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 186.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 84770124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).