2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole

C8H10F2N2S — CID 57486684

IUPAC2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2CC(F)(F)CN2)n1
InChIInChI=1S/C8H10F2N2S/c1-5-3-13-7(12-5)6-2-8(9,10)4-11-6/h3,6,11H,2,4H2,1H3
InChIKeyBEQYNTOHEJSWNB-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.12
Rot. Bonds1

About 2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole

2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole (PubChem CID 57486684) has the molecular formula C8H10F2N2S and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole
PubChem CID57486684
Molecular FormulaC8H10F2N2S
Molecular Weight204.24 g/mol
Exact Mass204.05
IUPAC Name2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2CC(F)(F)CN2)n1
InChIInChI=1S/C8H10F2N2S/c1-5-3-13-7(12-5)6-2-8(9,10)4-11-6/h3,6,11H,2,4H2,1H3
InChIKeyBEQYNTOHEJSWNB-UHFFFAOYSA-N
XLogP2.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole (CID 57486684) is 2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole is Cc1csc(C2CC(F)(F)CN2)n1.
What is the InChIKey of 2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole?
The InChIKey is BEQYNTOHEJSWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2S/c1-5-3-13-7(12-5)6-2-8(9,10)4-11-6/h3,6,11H,2,4H2,1H3.
What are the key properties of 2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole?
2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole has a molecular weight of 204.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 57486684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).