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

C9H12F2N2S — CID 84786149

IUPAC4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCC(F)(F)c1csc(C2CCNC2)n1
InChIInChI=1S/C9H12F2N2S/c1-9(10,11)7-5-14-8(13-7)6-2-3-12-4-6/h5-6,12H,2-4H2,1H3
InChIKeyOSRSKRXHQQGIRP-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.33
Rot. Bonds2

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

4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 84786149) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole
PubChem CID84786149
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC Name4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCC(F)(F)c1csc(C2CCNC2)n1
InChIInChI=1S/C9H12F2N2S/c1-9(10,11)7-5-14-8(13-7)6-2-3-12-4-6/h5-6,12H,2-4H2,1H3
InChIKeyOSRSKRXHQQGIRP-UHFFFAOYSA-N
XLogP2.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole
CID 84795509
4-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 84783502
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
5-(1,1-difluoroethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 84795505
4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888678
N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine
CID 115087748
4-(3,5-ditert-butylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 59210176

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole (CID 84786149) is 4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole is CC(F)(F)c1csc(C2CCNC2)n1.
What is the InChIKey of 4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is OSRSKRXHQQGIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c1-9(10,11)7-5-14-8(13-7)6-2-3-12-4-6/h5-6,12H,2-4H2,1H3.
What are the key properties of 4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole?
4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 218.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 84786149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).