2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol

C7H10F2N2OS — CID 104857325

IUPAC2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCc1cncs1
InChIInChI=1S/C7H10F2N2OS/c8-7(9,4-12)3-10-1-6-2-11-5-13-6/h2,5,10,12H,1,3-4H2
InChIKeyOKHWYFQJZBRIKW-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.86
Rot. Bonds5

About 2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol

2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol (PubChem CID 104857325) has the molecular formula C7H10F2N2OS and a molecular weight of 208.23 g/mol. Its IUPAC name is 2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol
PubChem CID104857325
Molecular FormulaC7H10F2N2OS
Molecular Weight208.23 g/mol
Exact Mass208.05
IUPAC Name2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCc1cncs1
InChIInChI=1S/C7H10F2N2OS/c8-7(9,4-12)3-10-1-6-2-11-5-13-6/h2,5,10,12H,1,3-4H2
InChIKeyOKHWYFQJZBRIKW-UHFFFAOYSA-N
XLogP0.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol (CID 104857325) is 2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol is OCC(F)(F)CNCc1cncs1.
What is the InChIKey of 2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol?
The InChIKey is OKHWYFQJZBRIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2OS/c8-7(9,4-12)3-10-1-6-2-11-5-13-6/h2,5,10,12H,1,3-4H2.
What are the key properties of 2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol?
2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol has a molecular weight of 208.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-1-ol is sourced from PubChem (CID 104857325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).