2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine

C8H12F2N2S — CID 115405653

IUPAC2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NCC(F)F)cs1
InChIInChI=1S/C8H12F2N2S/c1-5(11-3-8(9)10)7-4-13-6(2)12-7/h4-5,8,11H,3H2,1-2H3
InChIKeyYVUYCGCTIGLZGG-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.37
Rot. Bonds4

About 2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine

2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 115405653) has the molecular formula C8H12F2N2S and a molecular weight of 206.26 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID115405653
Molecular FormulaC8H12F2N2S
Molecular Weight206.26 g/mol
Exact Mass206.07
IUPAC Name2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NCC(F)F)cs1
InChIInChI=1S/C8H12F2N2S/c1-5(11-3-8(9)10)7-4-13-6(2)12-7/h4-5,8,11H,3H2,1-2H3
InChIKeyYVUYCGCTIGLZGG-UHFFFAOYSA-N
XLogP2.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol
CID 103822917
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585121
N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670104
3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol
CID 103822936
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
CID 66168316
4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54944257
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 115405653) is 2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)NCC(F)F)cs1.
What is the InChIKey of 2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is YVUYCGCTIGLZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2S/c1-5(11-3-8(9)10)7-4-13-6(2)12-7/h4-5,8,11H,3H2,1-2H3.
What are the key properties of 2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 206.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 115405653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).