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

C6H8F2N2S — CID 84767601

IUPAC2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(C(F)F)cs1
InChIInChI=1S/C6H8F2N2S/c7-6(8)4-3-11-5(10-4)1-2-9/h3,6H,1-2,9H2
InChIKeyGSFDWYMBOLHOIC-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.58
Rot. Bonds3

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

2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 84767601) has the molecular formula C6H8F2N2S and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID84767601
Molecular FormulaC6H8F2N2S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(C(F)F)cs1
InChIInChI=1S/C6H8F2N2S/c7-6(8)4-3-11-5(10-4)1-2-9/h3,6H,1-2,9H2
InChIKeyGSFDWYMBOLHOIC-UHFFFAOYSA-N
XLogP1.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine (CID 84767601) is 2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine is NCCc1nc(C(F)F)cs1.
What is the InChIKey of 2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is GSFDWYMBOLHOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2S/c7-6(8)4-3-11-5(10-4)1-2-9/h3,6H,1-2,9H2.
What are the key properties of 2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 178.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 84767601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).