4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole

C11H10F2N2S — CID 7110153

IUPAC4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole
SMILESFc1cc(F)c2nc(N3CCCC3)sc2c1
InChIInChI=1S/C11H10F2N2S/c12-7-5-8(13)10-9(6-7)16-11(14-10)15-3-1-2-4-15/h5-6H,1-4H2
InChIKeyGLMSPRQFIUTZAB-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.17
Rot. Bonds1

About 4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole

4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole (PubChem CID 7110153) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole
PubChem CID7110153
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole
SMILESFc1cc(F)c2nc(N3CCCC3)sc2c1
InChIInChI=1S/C11H10F2N2S/c12-7-5-8(13)10-9(6-7)16-11(14-10)15-3-1-2-4-15/h5-6H,1-4H2
InChIKeyGLMSPRQFIUTZAB-UHFFFAOYSA-N
XLogP3.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The IUPAC name of 4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole (CID 7110153) is 4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The canonical SMILES for 4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole is Fc1cc(F)c2nc(N3CCCC3)sc2c1.
What is the InChIKey of 4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The InChIKey is GLMSPRQFIUTZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c12-7-5-8(13)10-9(6-7)16-11(14-10)15-3-1-2-4-15/h5-6H,1-4H2.
What are the key properties of 4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole?
4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole has a molecular weight of 240.28 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 7110153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).