5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole

C10H14F2N2S — CID 84795505

IUPAC5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1nc(C2CCNC2)sc1C(C)(F)F
InChIInChI=1S/C10H14F2N2S/c1-6-8(10(2,11)12)15-9(14-6)7-3-4-13-5-7/h7,13H,3-5H2,1-2H3
InChIKeyOENVOSADCLBOKD-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.64
Rot. Bonds2

About 5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole

5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 84795505) has the molecular formula C10H14F2N2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
PubChem CID84795505
Molecular FormulaC10H14F2N2S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1nc(C2CCNC2)sc1C(C)(F)F
InChIInChI=1S/C10H14F2N2S/c1-6-8(10(2,11)12)15-9(14-6)7-3-4-13-5-7/h7,13H,3-5H2,1-2H3
InChIKeyOENVOSADCLBOKD-UHFFFAOYSA-N
XLogP2.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole (CID 84795505) is 5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole is Cc1nc(C2CCNC2)sc1C(C)(F)F.
What is the InChIKey of 5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is OENVOSADCLBOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2S/c1-6-8(10(2,11)12)15-9(14-6)7-3-4-13-5-7/h7,13H,3-5H2,1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole?
5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 232.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 84795505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).