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

C6H8F2N2S — CID 84767600

IUPAC[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine
SMILESCC(F)(F)c1csc(CN)n1
InChIInChI=1S/C6H8F2N2S/c1-6(7,8)4-3-11-5(2-9)10-4/h3H,2,9H2,1H3
InChIKeyWEEXJXYMBSZCHG-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.71
Rot. Bonds2

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

[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 84767600) has the molecular formula C6H8F2N2S and a molecular weight of 178.21 g/mol. Its IUPAC name is [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID84767600
Molecular FormulaC6H8F2N2S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine
SMILESCC(F)(F)c1csc(CN)n1
InChIInChI=1S/C6H8F2N2S/c1-6(7,8)4-3-11-5(2-9)10-4/h3H,2,9H2,1H3
InChIKeyWEEXJXYMBSZCHG-UHFFFAOYSA-N
XLogP1.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine (CID 84767600) is [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine is CC(F)(F)c1csc(CN)n1.
What is the InChIKey of [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is WEEXJXYMBSZCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2S/c1-6(7,8)4-3-11-5(2-9)10-4/h3H,2,9H2,1H3.
What are the key properties of [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine?
[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 178.21 g/mol, XLogP of 1.71, 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)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 84767600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).