5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole

C10H14F2N2S — CID 84795515

IUPAC5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCC(F)(F)c1cnc(CC2CCCN2)s1
InChIInChI=1S/C10H14F2N2S/c1-10(11,12)8-6-14-9(15-8)5-7-3-2-4-13-7/h6-7,13H,2-5H2,1H3
InChIKeyMZEXTCRTKRPFPZ-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.55
Rot. Bonds3

About 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole

5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 84795515) has the molecular formula C10H14F2N2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID84795515
Molecular FormulaC10H14F2N2S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCC(F)(F)c1cnc(CC2CCCN2)s1
InChIInChI=1S/C10H14F2N2S/c1-10(11,12)8-6-14-9(15-8)5-7-3-2-4-13-7/h6-7,13H,2-5H2,1H3
InChIKeyMZEXTCRTKRPFPZ-UHFFFAOYSA-N
XLogP2.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,1-difluoroethyl)-4-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84803169
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 84784625
5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 115033672
5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 84782347
N-methyl-1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090979
2-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]pyrrolidine
CID 117359803
4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496
5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 117231618
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 84734214
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 84795515) is 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is CC(F)(F)c1cnc(CC2CCCN2)s1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is MZEXTCRTKRPFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2S/c1-10(11,12)8-6-14-9(15-8)5-7-3-2-4-13-7/h6-7,13H,2-5H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 232.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 84795515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).