2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine

C12H12F2N2S — CID 116789344

IUPAC2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESFC(F)(CNCc1cncs1)c1ccccc1
InChIInChI=1S/C12H12F2N2S/c13-12(14,10-4-2-1-3-5-10)8-15-6-11-7-16-9-17-11/h1-5,7,9,15H,6,8H2
InChIKeyLSQZXIPGESBDAJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.02
Rot. Bonds5

About 2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine

2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 116789344) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID116789344
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESFC(F)(CNCc1cncs1)c1ccccc1
InChIInChI=1S/C12H12F2N2S/c13-12(14,10-4-2-1-3-5-10)8-15-6-11-7-16-9-17-11/h1-5,7,9,15H,6,8H2
InChIKeyLSQZXIPGESBDAJ-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
CID 114332065
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671
2-phenylsulfanyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759077
N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115757243
1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758358
2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 65108079
2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732424
N-[[3-(chloromethyl)phenyl]methyl]-2,2-difluoro-2-phenylethanamine
CID 116790548
5-[2-benzyl-3-chloro-2-(chloromethyl)propyl]-1,3-thiazole
CID 112645411
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 116789344) is 2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine is FC(F)(CNCc1cncs1)c1ccccc1.
What is the InChIKey of 2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is LSQZXIPGESBDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c13-12(14,10-4-2-1-3-5-10)8-15-6-11-7-16-9-17-11/h1-5,7,9,15H,6,8H2.
What are the key properties of 2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 254.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 116789344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).