1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine

C7H10F2N2S — CID 84772376

IUPAC1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(C(C)(F)F)n1
InChIInChI=1S/C7H10F2N2S/c1-4(10)5-3-12-6(11-5)7(2,8)9/h3-4H,10H2,1-2H3
InChIKeyBRJLSQXYPIYNJN-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.27
Rot. Bonds2

About 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine

1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 84772376) has the molecular formula C7H10F2N2S and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID84772376
Molecular FormulaC7H10F2N2S
Molecular Weight192.23 g/mol
Exact Mass192.05
IUPAC Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(C(C)(F)F)n1
InChIInChI=1S/C7H10F2N2S/c1-4(10)5-3-12-6(11-5)7(2,8)9/h3-4H,10H2,1-2H3
InChIKeyBRJLSQXYPIYNJN-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 84770829
1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 116774571
2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 61337262
1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64543263
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
2-tert-butyl-4-propan-2-yl-1,3-thiazole
CID 22975254
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64544064
2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097424
1-[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 64543107
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 64556257

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine (CID 84772376) is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(C(C)(F)F)n1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is BRJLSQXYPIYNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2S/c1-4(10)5-3-12-6(11-5)7(2,8)9/h3-4H,10H2,1-2H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 192.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 84772376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).